N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine

C38H79N — CID 139723116

IUPACN-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
SMILESCCCCCCCCCCN(CCCCCCCCCCCC(C)C)CCCCCCCCCCCC(C)C
InChIInChI=1S/C38H79N/c1-6-7-8-9-10-19-24-29-34-39(35-30-25-20-15-11-13-17-22-27-32-37(2)3)36-31-26-21-16-12-14-18-23-28-33-38(4)5/h37-38H,6-36H2,1-5H3
InChIKeyBMVHDHKZGDRHNG-UHFFFAOYSA-N
MW550.06 g/mol
LogP13.54
Rot. Bonds33

About N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine

N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine (PubChem CID 139723116) has the molecular formula C38H79N and a molecular weight of 550.06 g/mol. Its IUPAC name is N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine.

Molecular Properties

Compound NameN-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
PubChem CID139723116
Molecular FormulaC38H79N
Molecular Weight550.06 g/mol
Exact Mass549.62
IUPAC NameN-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
SMILESCCCCCCCCCCN(CCCCCCCCCCCC(C)C)CCCCCCCCCCCC(C)C
InChIInChI=1S/C38H79N/c1-6-7-8-9-10-19-24-29-34-39(35-30-25-20-15-11-13-17-22-27-32-37(2)3)36-31-26-21-16-12-14-18-23-28-33-38(4)5/h37-38H,6-36H2,1-5H3
InChIKeyBMVHDHKZGDRHNG-UHFFFAOYSA-N
XLogP13.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.06
LogP ≤ 513.54
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,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319
N,N-dihexyl-12-methyltridecan-1-amine
CID 139723652
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-(12-methyltridecyl)-N-octadecyloctadecan-1-amine
CID 139723792
13-methyl-N-(13-methyltetradecyl)-N-octyltetradecan-1-amine
CID 139723246
8-methyl-N-(8-methylnonyl)-N-octylnonan-1-amine
CID 139723771
N,N-diheptyl-16-methylheptadecan-1-amine
CID 139723972

Frequently Asked Questions

What is the IUPAC name of N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine?
The IUPAC name of N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine (CID 139723116) is N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine.
What is the SMILES notation for N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine?
The canonical SMILES for N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine is CCCCCCCCCCN(CCCCCCCCCCCC(C)C)CCCCCCCCCCCC(C)C.
What is the InChIKey of N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine?
The InChIKey is BMVHDHKZGDRHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H79N/c1-6-7-8-9-10-19-24-29-34-39(35-30-25-20-15-11-13-17-22-27-32-37(2)3)36-31-26-21-16-12-14-18-23-28-33-38(4)5/h37-38H,6-36H2,1-5H3.
What are the key properties of N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine?
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine has a molecular weight of 550.06 g/mol, XLogP of 13.54, 33 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine is sourced from PubChem (CID 139723116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).