N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine

C33H69N — CID 139723897

IUPACN,N-bis(2-methyloctan-2-yl)pentadecan-1-amine
SMILESCCCCCCCCCCCCCCCN(C(C)(C)CCCCCC)C(C)(C)CCCCCC
InChIInChI=1S/C33H69N/c1-8-11-14-17-18-19-20-21-22-23-24-25-28-31-34(32(4,5)29-26-15-12-9-2)33(6,7)30-27-16-13-10-3/h8-31H2,1-7H3
InChIKeyIZUMMSXQMWMUJE-UHFFFAOYSA-N
MW479.92 g/mol
LogP11.88
Rot. Bonds26

About N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine

N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine (PubChem CID 139723897) has the molecular formula C33H69N and a molecular weight of 479.92 g/mol. Its IUPAC name is N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-methyloctan-2-yl)pentadecan-1-amine
PubChem CID139723897
Molecular FormulaC33H69N
Molecular Weight479.92 g/mol
Exact Mass479.54
IUPAC NameN,N-bis(2-methyloctan-2-yl)pentadecan-1-amine
SMILESCCCCCCCCCCCCCCCN(C(C)(C)CCCCCC)C(C)(C)CCCCCC
InChIInChI=1S/C33H69N/c1-8-11-14-17-18-19-20-21-22-23-24-25-28-31-34(32(4,5)29-26-15-12-9-2)33(6,7)30-27-16-13-10-3/h8-31H2,1-7H3
InChIKeyIZUMMSXQMWMUJE-UHFFFAOYSA-N
XLogP11.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.92
LogP ≤ 511.88
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

2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
CID 139723690
N,N-bis(2-methyldecan-2-yl)dodecan-1-amine
CID 139723612
N,N-bis(2-methyldecan-2-yl)tridecan-1-amine
CID 139723232
2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine
CID 139723201
N-hexyl-2-methyl-N-(2-methylheptadecan-2-yl)heptadecan-2-amine
CID 139723065
N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine
CID 139724071
2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine
CID 139723389
N-dodecyl-2-methyl-N-(2-methylhexadecan-2-yl)hexadecan-2-amine
CID 139723367
N-butyl-2-methyl-N-(2-methylpentadecan-2-yl)pentadecan-2-amine
CID 139722679
N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine
CID 139723254
N-ethyl-2-methyl-N-(2-methyloctan-2-yl)octan-2-amine
CID 139724053
2-methyl-N,N-dipentyltetradecan-2-amine
CID 139724044

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine?
The IUPAC name of N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine (CID 139723897) is N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine.
What is the SMILES notation for N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine?
The canonical SMILES for N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine is CCCCCCCCCCCCCCCN(C(C)(C)CCCCCC)C(C)(C)CCCCCC.
What is the InChIKey of N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine?
The InChIKey is IZUMMSXQMWMUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H69N/c1-8-11-14-17-18-19-20-21-22-23-24-25-28-31-34(32(4,5)29-26-15-12-9-2)33(6,7)30-27-16-13-10-3/h8-31H2,1-7H3.
What are the key properties of N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine?
N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine has a molecular weight of 479.92 g/mol, XLogP of 11.88, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine is sourced from PubChem (CID 139723897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).