N-hexyl-N-methyldodecan-1-amine

C19H41N — CID 139978744

IUPACN-hexyl-N-methyldodecan-1-amine
SMILESCCCCCCCCCCCCN(C)CCCCCC
InChIInChI=1S/C19H41N/c1-4-6-8-10-11-12-13-14-15-17-19-20(3)18-16-9-7-5-2/h4-19H2,1-3H3
InChIKeyMGQOGBYBSZAOTH-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.42
Rot. Bonds16

About N-hexyl-N-methyldodecan-1-amine

N-hexyl-N-methyldodecan-1-amine (PubChem CID 139978744) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is N-hexyl-N-methyldodecan-1-amine.

Molecular Properties

Compound NameN-hexyl-N-methyldodecan-1-amine
PubChem CID139978744
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC NameN-hexyl-N-methyldodecan-1-amine
SMILESCCCCCCCCCCCCN(C)CCCCCC
InChIInChI=1S/C19H41N/c1-4-6-8-10-11-12-13-14-15-17-19-20(3)18-16-9-7-5-2/h4-19H2,1-3H3
InChIKeyMGQOGBYBSZAOTH-UHFFFAOYSA-N
XLogP6.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
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
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
N-methyl-N-propyldecan-1-amine
CID 13122225
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-methyldodecan-1-amine?
The IUPAC name of N-hexyl-N-methyldodecan-1-amine (CID 139978744) is N-hexyl-N-methyldodecan-1-amine.
What is the SMILES notation for N-hexyl-N-methyldodecan-1-amine?
The canonical SMILES for N-hexyl-N-methyldodecan-1-amine is CCCCCCCCCCCCN(C)CCCCCC.
What is the InChIKey of N-hexyl-N-methyldodecan-1-amine?
The InChIKey is MGQOGBYBSZAOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N/c1-4-6-8-10-11-12-13-14-15-17-19-20(3)18-16-9-7-5-2/h4-19H2,1-3H3.
What are the key properties of N-hexyl-N-methyldodecan-1-amine?
N-hexyl-N-methyldodecan-1-amine has a molecular weight of 283.54 g/mol, XLogP of 6.42, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-methyldodecan-1-amine is sourced from PubChem (CID 139978744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).