2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine

C37H77N — CID 139723690

IUPAC2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
SMILESCCCCCCCCCCCC(C)(C)N(CCCCCCCCC)C(C)(C)CCCCCCCCCCC
InChIInChI=1S/C37H77N/c1-8-11-14-17-20-22-24-27-30-33-36(4,5)38(35-32-29-26-19-16-13-10-3)37(6,7)34-31-28-25-23-21-18-15-12-9-2/h8-35H2,1-7H3
InChIKeyLPHRNGHGBGSGII-UHFFFAOYSA-N
MW536.03 g/mol
LogP13.44
Rot. Bonds30

About 2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine

2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine (PubChem CID 139723690) has the molecular formula C37H77N and a molecular weight of 536.03 g/mol. Its IUPAC name is 2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
PubChem CID139723690
Molecular FormulaC37H77N
Molecular Weight536.03 g/mol
Exact Mass535.61
IUPAC Name2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
SMILESCCCCCCCCCCCC(C)(C)N(CCCCCCCCC)C(C)(C)CCCCCCCCCCC
InChIInChI=1S/C37H77N/c1-8-11-14-17-20-22-24-27-30-33-36(4,5)38(35-32-29-26-19-16-13-10-3)37(6,7)34-31-28-25-23-21-18-15-12-9-2/h8-35H2,1-7H3
InChIKeyLPHRNGHGBGSGII-UHFFFAOYSA-N
XLogP13.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.03
LogP ≤ 513.44
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(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
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 2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine?
The IUPAC name of 2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine (CID 139723690) is 2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine?
The canonical SMILES for 2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine is CCCCCCCCCCCC(C)(C)N(CCCCCCCCC)C(C)(C)CCCCCCCCCCC.
What is the InChIKey of 2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine?
The InChIKey is LPHRNGHGBGSGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77N/c1-8-11-14-17-20-22-24-27-30-33-36(4,5)38(35-32-29-26-19-16-13-10-3)37(6,7)34-31-28-25-23-21-18-15-12-9-2/h8-35H2,1-7H3.
What are the key properties of 2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine?
2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine has a molecular weight of 536.03 g/mol, XLogP of 13.44, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine is sourced from PubChem (CID 139723690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).