1-phenyl-N-propan-2-ylheptan-3-amine

C16H27N — CID 13159413

IUPAC1-phenyl-N-propan-2-ylheptan-3-amine
SMILESCCCCC(CCc1ccccc1)NC(C)C
InChIInChI=1S/C16H27N/c1-4-5-11-16(17-14(2)3)13-12-15-9-7-6-8-10-15/h6-10,14,16-17H,4-5,11-13H2,1-3H3
InChIKeyBMNPGUQKOPSXFK-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.18
Rot. Bonds8

About 1-phenyl-N-propan-2-ylheptan-3-amine

1-phenyl-N-propan-2-ylheptan-3-amine (PubChem CID 13159413) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-phenyl-N-propan-2-ylheptan-3-amine.

Molecular Properties

Compound Name1-phenyl-N-propan-2-ylheptan-3-amine
PubChem CID13159413
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-phenyl-N-propan-2-ylheptan-3-amine
SMILESCCCCC(CCc1ccccc1)NC(C)C
InChIInChI=1S/C16H27N/c1-4-5-11-16(17-14(2)3)13-12-15-9-7-6-8-10-15/h6-10,14,16-17H,4-5,11-13H2,1-3H3
InChIKeyBMNPGUQKOPSXFK-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-phenyl-N-propan-2-ylheptan-3-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

1-(4-ethylphenyl)-N-propan-2-ylhexan-2-amine
CID 79413154
4-methoxy-N-(1-phenylheptan-3-yl)aniline
CID 85304689
N-(2-phenylethyl)octan-4-amine
CID 11128217
N-(4-phenylbutan-2-yl)octan-2-amine
CID 43130021
1-(2-chlorophenyl)-N-propan-2-ylhexan-2-amine
CID 79412787
N-propan-2-ylheptadecan-5-amine
CID 79412665
N-propan-2-yldodecan-5-amine
CID 79412905
1-phenylheptan-3-ol
CID 10420110
1-(3-bromophenyl)-N-propan-2-ylhexan-2-amine
CID 79412796
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
3-methyl-5-(1-phenylhexan-3-ylamino)heptan-4-one
CID 143057501
N-(1-phenylpropan-2-yl)hexan-2-amine
CID 63012254

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propan-2-ylheptan-3-amine?
The IUPAC name of 1-phenyl-N-propan-2-ylheptan-3-amine (CID 13159413) is 1-phenyl-N-propan-2-ylheptan-3-amine.
What is the SMILES notation for 1-phenyl-N-propan-2-ylheptan-3-amine?
The canonical SMILES for 1-phenyl-N-propan-2-ylheptan-3-amine is CCCCC(CCc1ccccc1)NC(C)C.
What is the InChIKey of 1-phenyl-N-propan-2-ylheptan-3-amine?
The InChIKey is BMNPGUQKOPSXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-5-11-16(17-14(2)3)13-12-15-9-7-6-8-10-15/h6-10,14,16-17H,4-5,11-13H2,1-3H3.
What are the key properties of 1-phenyl-N-propan-2-ylheptan-3-amine?
1-phenyl-N-propan-2-ylheptan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propan-2-ylheptan-3-amine is sourced from PubChem (CID 13159413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).