2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine

C29H53N — CID 19606660

IUPAC2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine
SMILESCCCCCCCCCCCCCCCCCC(C)(C)NC(C)(C)c1ccccc1
InChIInChI=1S/C29H53N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(2,3)30-29(4,5)27-24-21-20-22-25-27/h20-22,24-25,30H,6-19,23,26H2,1-5H3
InChIKeyRWYBPOSRALFDOH-UHFFFAOYSA-N
MW415.75 g/mol
LogP9.55
Rot. Bonds19

About 2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine

2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine (PubChem CID 19606660) has the molecular formula C29H53N and a molecular weight of 415.75 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine
PubChem CID19606660
Molecular FormulaC29H53N
Molecular Weight415.75 g/mol
Exact Mass415.42
IUPAC Name2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine
SMILESCCCCCCCCCCCCCCCCCC(C)(C)NC(C)(C)c1ccccc1
InChIInChI=1S/C29H53N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(2,3)30-29(4,5)27-24-21-20-22-25-27/h20-22,24-25,30H,6-19,23,26H2,1-5H3
InChIKeyRWYBPOSRALFDOH-UHFFFAOYSA-N
XLogP9.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.75
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-phenylpropan-2-yl)nonadecan-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

N-(2-phenylpropan-2-yl)dodecan-1-amine
CID 18319434
N-(2-methyltridecan-2-yl)aniline
CID 67784312
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-phenyldecan-2-amine
CID 63408050
tert-butylbenzene;hexane
CID 175254424
N-benzyl-2-methylnonan-2-amine
CID 54410414
1,1-diphenyldodecan-1-amine
CID 19925745
5-butylhexadecan-5-ylbenzene
CID 173084700
2-phenylicosan-2-amine;hydrochloride
CID 173065845
N-benzyl-2-methyltridecan-2-amine;hydrochloride
CID 173095705
1,1-difluoroheptylbenzene
CID 12070547
(2-chloro-2-methyl-3-phenylnonadecan-3-yl)benzene
CID 21418823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine?
The IUPAC name of 2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine (CID 19606660) is 2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine?
The canonical SMILES for 2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine is CCCCCCCCCCCCCCCCCC(C)(C)NC(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine?
The InChIKey is RWYBPOSRALFDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H53N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-28(2,3)30-29(4,5)27-24-21-20-22-25-27/h20-22,24-25,30H,6-19,23,26H2,1-5H3.
What are the key properties of 2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine?
2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine has a molecular weight of 415.75 g/mol, XLogP of 9.55, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine is sourced from PubChem (CID 19606660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).