N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine

C17H29N — CID 65305501

IUPACN-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine
SMILESCC(C)NCCCCCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-14(2)17-11-9-16(10-12-17)8-6-5-7-13-18-15(3)4/h9-12,14-15,18H,5-8,13H2,1-4H3
InChIKeyCMSBPNPCNMHQAE-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.52
Rot. Bonds8

About N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine

N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine (PubChem CID 65305501) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine
PubChem CID65305501
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine
SMILESCC(C)NCCCCCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-14(2)17-11-9-16(10-12-17)8-6-5-7-13-18-15(3)4/h9-12,14-15,18H,5-8,13H2,1-4H3
InChIKeyCMSBPNPCNMHQAE-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-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

6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422
N-tert-butyl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305552
6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308314
6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine
CID 115483370
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792
N-propan-2-yl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 61386053
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine?
The IUPAC name of N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine (CID 65305501) is N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine.
What is the SMILES notation for N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine?
The canonical SMILES for N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine is CC(C)NCCCCCc1ccc(C(C)C)cc1.
What is the InChIKey of N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine?
The InChIKey is CMSBPNPCNMHQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-14(2)17-11-9-16(10-12-17)8-6-5-7-13-18-15(3)4/h9-12,14-15,18H,5-8,13H2,1-4H3.
What are the key properties of N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine?
N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine is sourced from PubChem (CID 65305501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).