N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine

C19H29N — CID 105050218

IUPACN-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)C1CC2CC2C1
InChIInChI=1S/C19H29N/c1-3-6-14-7-5-8-15(10-14)19(20-9-4-2)18-12-16-11-17(16)13-18/h5,7-8,10,16-20H,3-4,6,9,11-13H2,1-2H3
InChIKeyZYJHKRWWWHCBDG-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.73
Rot. Bonds7

About N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine

N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine (PubChem CID 105050218) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
PubChem CID105050218
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(CCC)c1)C1CC2CC2C1
InChIInChI=1S/C19H29N/c1-3-6-14-7-5-8-15(10-14)19(20-9-4-2)18-12-16-11-17(16)13-18/h5,7-8,10,16-20H,3-4,6,9,11-13H2,1-2H3
InChIKeyZYJHKRWWWHCBDG-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-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

N-[(3-methylcyclohexyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116544174
N-[(3-methylcyclopentyl)-(3-propylphenyl)methyl]ethanamine
CID 116544556
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811418
N-[(4-methylthiomorpholin-3-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 106445558
N-[3-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115850632
N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine
CID 105022208
N-[3-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methyl]propan-1-amine
CID 115797726
N-[(3-ethylphenyl)-(thiolan-3-yl)methyl]propan-1-amine
CID 105171150
N-[[3-(2-methylpropyl)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105188104

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine (CID 105050218) is N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(CCC)c1)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine?
The InChIKey is ZYJHKRWWWHCBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-6-14-7-5-8-15(10-14)19(20-9-4-2)18-12-16-11-17(16)13-18/h5,7-8,10,16-20H,3-4,6,9,11-13H2,1-2H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine?
N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105050218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).