N-methyl-N-tridecyltetradecan-1-amine

C28H59N — CID 87351995

IUPACN-methyl-N-tridecyltetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCC
InChIInChI=1S/C28H59N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-29(3)27-25-23-21-19-17-15-13-11-9-7-5-2/h4-28H2,1-3H3
InChIKeyJLKNUWMHLAWPRV-UHFFFAOYSA-N
MW409.79 g/mol
LogP9.93
Rot. Bonds25

About N-methyl-N-tridecyltetradecan-1-amine

N-methyl-N-tridecyltetradecan-1-amine (PubChem CID 87351995) has the molecular formula C28H59N and a molecular weight of 409.79 g/mol. Its IUPAC name is N-methyl-N-tridecyltetradecan-1-amine.

Molecular Properties

Compound NameN-methyl-N-tridecyltetradecan-1-amine
PubChem CID87351995
Molecular FormulaC28H59N
Molecular Weight409.79 g/mol
Exact Mass409.46
IUPAC NameN-methyl-N-tridecyltetradecan-1-amine
SMILESCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCC
InChIInChI=1S/C28H59N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-29(3)27-25-23-21-19-17-15-13-11-9-7-5-2/h4-28H2,1-3H3
InChIKeyJLKNUWMHLAWPRV-UHFFFAOYSA-N
XLogP9.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.79
LogP ≤ 59.93
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-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
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-methyl-N-tridecyltetradecan-1-amine?
The IUPAC name of N-methyl-N-tridecyltetradecan-1-amine (CID 87351995) is N-methyl-N-tridecyltetradecan-1-amine.
What is the SMILES notation for N-methyl-N-tridecyltetradecan-1-amine?
The canonical SMILES for N-methyl-N-tridecyltetradecan-1-amine is CCCCCCCCCCCCCCN(C)CCCCCCCCCCCCC.
What is the InChIKey of N-methyl-N-tridecyltetradecan-1-amine?
The InChIKey is JLKNUWMHLAWPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-29(3)27-25-23-21-19-17-15-13-11-9-7-5-2/h4-28H2,1-3H3.
What are the key properties of N-methyl-N-tridecyltetradecan-1-amine?
N-methyl-N-tridecyltetradecan-1-amine has a molecular weight of 409.79 g/mol, XLogP of 9.93, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-tridecyltetradecan-1-amine is sourced from PubChem (CID 87351995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).