2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine

C47H97N — CID 139723389

IUPAC2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine
SMILESCCCCCCCCCCCCCCCN(C(C)(C)CCCCCCCCCCCCC)C(C)(C)CCCCCCCCCCCCC
InChIInChI=1S/C47H97N/c1-8-11-14-17-20-23-26-27-30-33-36-39-42-45-48(46(4,5)43-40-37-34-31-28-24-21-18-15-12-9-2)47(6,7)44-41-38-35-32-29-25-22-19-16-13-10-3/h8-45H2,1-7H3
InChIKeySQTMGCLJUOENQR-UHFFFAOYSA-N
MW676.30 g/mol
LogP17.34
Rot. Bonds40

About 2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine

2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine (PubChem CID 139723389) has the molecular formula C47H97N and a molecular weight of 676.30 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine
PubChem CID139723389
Molecular FormulaC47H97N
Molecular Weight676.30 g/mol
Exact Mass675.76
IUPAC Name2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine
SMILESCCCCCCCCCCCCCCCN(C(C)(C)CCCCCCCCCCCCC)C(C)(C)CCCCCCCCCCCCC
InChIInChI=1S/C47H97N/c1-8-11-14-17-20-23-26-27-30-33-36-39-42-45-48(46(4,5)43-40-37-34-31-28-24-21-18-15-12-9-2)47(6,7)44-41-38-35-32-29-25-22-19-16-13-10-3/h8-45H2,1-7H3
InChIKeySQTMGCLJUOENQR-UHFFFAOYSA-N
XLogP17.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds40
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.30
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-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
N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine
CID 139724071
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-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine?
The IUPAC name of 2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine (CID 139723389) is 2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine?
The canonical SMILES for 2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine is CCCCCCCCCCCCCCCN(C(C)(C)CCCCCCCCCCCCC)C(C)(C)CCCCCCCCCCCCC.
What is the InChIKey of 2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine?
The InChIKey is SQTMGCLJUOENQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H97N/c1-8-11-14-17-20-23-26-27-30-33-36-39-42-45-48(46(4,5)43-40-37-34-31-28-24-21-18-15-12-9-2)47(6,7)44-41-38-35-32-29-25-22-19-16-13-10-3/h8-45H2,1-7H3.
What are the key properties of 2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine?
2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine has a molecular weight of 676.30 g/mol, XLogP of 17.34, 40 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine is sourced from PubChem (CID 139723389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).