N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine

C37H77N — CID 139724071

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

About N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine

N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine (PubChem CID 139724071) has the molecular formula C37H77N and a molecular weight of 536.03 g/mol. Its IUPAC name is N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-methylnonan-2-yl)heptadecan-1-amine
PubChem CID139724071
Molecular FormulaC37H77N
Molecular Weight536.03 g/mol
Exact Mass535.61
IUPAC NameN,N-bis(2-methylnonan-2-yl)heptadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCN(C(C)(C)CCCCCCC)C(C)(C)CCCCCCC
InChIInChI=1S/C37H77N/c1-8-11-14-17-18-19-20-21-22-23-24-25-26-29-32-35-38(36(4,5)33-30-27-15-12-9-2)37(6,7)34-31-28-16-13-10-3/h8-35H2,1-7H3
InChIKeyNFGIQOJPNQNXDD-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'}

Analyze N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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-dioctyloctan-2-amine
CID 139723132

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine?
The IUPAC name of N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine (CID 139724071) is N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine.
What is the SMILES notation for N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine?
The canonical SMILES for N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine is CCCCCCCCCCCCCCCCCN(C(C)(C)CCCCCCC)C(C)(C)CCCCCCC.
What is the InChIKey of N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine?
The InChIKey is NFGIQOJPNQNXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77N/c1-8-11-14-17-18-19-20-21-22-23-24-25-26-29-32-35-38(36(4,5)33-30-27-15-12-9-2)37(6,7)34-31-28-16-13-10-3/h8-35H2,1-7H3.
What are the key properties of N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine?
N,N-bis(2-methylnonan-2-yl)heptadecan-1-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 N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine is sourced from PubChem (CID 139724071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).