2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine

C33H69N — CID 139723201

IUPAC2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine
SMILESCCCCCCCCCN(C(C)(C)CCCCCCCCC)C(C)(C)CCCCCCCCC
InChIInChI=1S/C33H69N/c1-8-11-14-17-20-23-26-29-32(4,5)34(31-28-25-22-19-16-13-10-3)33(6,7)30-27-24-21-18-15-12-9-2/h8-31H2,1-7H3
InChIKeyNEGHNMNSKUCTPU-UHFFFAOYSA-N
MW479.92 g/mol
LogP11.88
Rot. Bonds26

About 2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine

2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine (PubChem CID 139723201) has the molecular formula C33H69N and a molecular weight of 479.92 g/mol. Its IUPAC name is 2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine
PubChem CID139723201
Molecular FormulaC33H69N
Molecular Weight479.92 g/mol
Exact Mass479.54
IUPAC Name2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine
SMILESCCCCCCCCCN(C(C)(C)CCCCCCCCC)C(C)(C)CCCCCCCCC
InChIInChI=1S/C33H69N/c1-8-11-14-17-20-23-26-29-32(4,5)34(31-28-25-22-19-16-13-10-3)33(6,7)30-27-24-21-18-15-12-9-2/h8-31H2,1-7H3
InChIKeyNEGHNMNSKUCTPU-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
N,N-bis(2-methyloctan-2-yl)pentadecan-1-amine
CID 139723897
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 2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine?
The IUPAC name of 2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine (CID 139723201) is 2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine?
The canonical SMILES for 2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine is CCCCCCCCCN(C(C)(C)CCCCCCCCC)C(C)(C)CCCCCCCCC.
What is the InChIKey of 2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine?
The InChIKey is NEGHNMNSKUCTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H69N/c1-8-11-14-17-20-23-26-29-32(4,5)34(31-28-25-22-19-16-13-10-3)33(6,7)30-27-24-21-18-15-12-9-2/h8-31H2,1-7H3.
What are the key properties of 2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine?
2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-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 2-methyl-N-(2-methylundecan-2-yl)-N-nonylundecan-2-amine is sourced from PubChem (CID 139723201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).