N-dodecyl-N-methyldodecan-1-amine;tetradecane

C39H83N — CID 118268401

IUPACN-dodecyl-N-methyldodecan-1-amine;tetradecane
SMILESCCCCCCCCCCCCCC.CCCCCCCCCCCCN(C)CCCCCCCCCCCC
InChIInChI=1S/C25H53N.C14H30/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;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h4-25H2,1-3H3;3-14H2,1-2H3
InChIKeyXAJOAOLWCJCGRE-UHFFFAOYSA-N
MW566.10 g/mol
LogP14.47
Rot. Bonds33

About N-dodecyl-N-methyldodecan-1-amine;tetradecane

N-dodecyl-N-methyldodecan-1-amine;tetradecane (PubChem CID 118268401) has the molecular formula C39H83N and a molecular weight of 566.10 g/mol. Its IUPAC name is N-dodecyl-N-methyldodecan-1-amine;tetradecane.

Molecular Properties

Compound NameN-dodecyl-N-methyldodecan-1-amine;tetradecane
PubChem CID118268401
Molecular FormulaC39H83N
Molecular Weight566.10 g/mol
Exact Mass565.65
IUPAC NameN-dodecyl-N-methyldodecan-1-amine;tetradecane
SMILESCCCCCCCCCCCCCC.CCCCCCCCCCCCN(C)CCCCCCCCCCCC
InChIInChI=1S/C25H53N.C14H30/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;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h4-25H2,1-3H3;3-14H2,1-2H3
InChIKeyXAJOAOLWCJCGRE-UHFFFAOYSA-N
XLogP14.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.10
LogP ≤ 514.47
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-hexyl-N-methyldodecan-1-amine
CID 139978744
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-dodecyl-N-methyldodecan-1-amine;tetradecane?
The IUPAC name of N-dodecyl-N-methyldodecan-1-amine;tetradecane (CID 118268401) is N-dodecyl-N-methyldodecan-1-amine;tetradecane.
What is the SMILES notation for N-dodecyl-N-methyldodecan-1-amine;tetradecane?
The canonical SMILES for N-dodecyl-N-methyldodecan-1-amine;tetradecane is CCCCCCCCCCCCCC.CCCCCCCCCCCCN(C)CCCCCCCCCCCC.
What is the InChIKey of N-dodecyl-N-methyldodecan-1-amine;tetradecane?
The InChIKey is XAJOAOLWCJCGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N.C14H30/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;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h4-25H2,1-3H3;3-14H2,1-2H3.
What are the key properties of N-dodecyl-N-methyldodecan-1-amine;tetradecane?
N-dodecyl-N-methyldodecan-1-amine;tetradecane has a molecular weight of 566.10 g/mol, XLogP of 14.47, 33 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-methyldodecan-1-amine;tetradecane is sourced from PubChem (CID 118268401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).