N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine

C85H185N5 — CID 158494739

IUPACN-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
SMILESCCCCCCCCCCCCN(C)CCCCCCCCCCCC.CCCCCCCCCCN(C)CCCCCCCCCC.CCCCCCCCN(C)CCCCCCCC.CCCCCCN(C)CCCCCC.CCCCN(C)CCCC
InChIInChI=1S/C25H53N.C21H45N.C17H37N.C13H29N.C9H21N/c1-4-6-8-10-12-14-16-18-20-22-24-26(3)25-23-21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-4-6-8-10-12-14(3)13-11-9-7-5-2;1-4-6-8-10(3)9-7-5-2/h4-25H2,1-3H3;4-21H2,1-3H3;4-17H2,1-3H3;4-13H2,1-3H3;4-9H2,1-3H3
InChIKeyHJDGIODWLKUNGB-UHFFFAOYSA-N
MW1277.45 g/mol
LogP28.20
Rot. Bonds70

About N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine

N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine (PubChem CID 158494739) has the molecular formula C85H185N5 and a molecular weight of 1277.45 g/mol. Its IUPAC name is N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine.

Molecular Properties

Compound NameN-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
PubChem CID158494739
Molecular FormulaC85H185N5
Molecular Weight1277.45 g/mol
Exact Mass1276.46
IUPAC NameN-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
SMILESCCCCCCCCCCCCN(C)CCCCCCCCCCCC.CCCCCCCCCCN(C)CCCCCCCCCC.CCCCCCCCN(C)CCCCCCCC.CCCCCCN(C)CCCCCC.CCCCN(C)CCCC
InChIInChI=1S/C25H53N.C21H45N.C17H37N.C13H29N.C9H21N/c1-4-6-8-10-12-14-16-18-20-22-24-26(3)25-23-21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-4-6-8-10-12-14(3)13-11-9-7-5-2;1-4-6-8-10(3)9-7-5-2/h4-25H2,1-3H3;4-21H2,1-3H3;4-17H2,1-3H3;4-13H2,1-3H3;4-9H2,1-3H3
InChIKeyHJDGIODWLKUNGB-UHFFFAOYSA-N
XLogP28.20
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds70
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001277.45
LogP ≤ 528.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258
N-butyl-N-methylpentan-1-amine
CID 54060013
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine?
The IUPAC name of N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine (CID 158494739) is N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine.
What is the SMILES notation for N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine?
The canonical SMILES for N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine is CCCCCCCCCCCCN(C)CCCCCCCCCCCC.CCCCCCCCCCN(C)CCCCCCCCCC.CCCCCCCCN(C)CCCCCCCC.CCCCCCN(C)CCCCCC.CCCCN(C)CCCC.
What is the InChIKey of N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine?
The InChIKey is HJDGIODWLKUNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N.C21H45N.C17H37N.C13H29N.C9H21N/c1-4-6-8-10-12-14-16-18-20-22-24-26(3)25-23-21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18(3)17-15-13-11-9-7-5-2;1-4-6-8-10-12-14(3)13-11-9-7-5-2;1-4-6-8-10(3)9-7-5-2/h4-25H2,1-3H3;4-21H2,1-3H3;4-17H2,1-3H3;4-13H2,1-3H3;4-9H2,1-3H3.
What are the key properties of N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine?
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine has a molecular weight of 1277.45 g/mol, XLogP of 28.20, 70 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine is sourced from PubChem (CID 158494739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).