3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine

C17H25N — CID 114606285

IUPAC3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(CCc1cccc(C2CCC2)c1)C1CC1
InChIInChI=1S/C17H25N/c1-18-17(15-9-10-15)11-8-13-4-2-7-16(12-13)14-5-3-6-14/h2,4,7,12,14-15,17-18H,3,5-6,8-11H2,1H3
InChIKeyGDCNTCUONQVTDH-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.88
Rot. Bonds6

About 3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine

3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine (PubChem CID 114606285) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine
PubChem CID114606285
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(CCc1cccc(C2CCC2)c1)C1CC1
InChIInChI=1S/C17H25N/c1-18-17(15-9-10-15)11-8-13-4-2-7-16(12-13)14-5-3-6-14/h2,4,7,12,14-15,17-18H,3,5-6,8-11H2,1H3
InChIKeyGDCNTCUONQVTDH-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 63355001
2-(3-cyclobutylphenyl)ethanamine
CID 83827556
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105176320
3-(3-cycloheptylphenyl)propanal
CID 117332990
4-(3-cyclopentylphenyl)butan-1-amine
CID 117310057
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
1-cyclopropyl-N-methyl-3-quinolin-6-ylpropan-1-amine
CID 81221236
[1-cyclohexyl-3-(3-methylphenyl)propyl]hydrazine
CID 105282141
3-(3-cyclopentylphenyl)propanoic acid
CID 83836630
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine (CID 114606285) is 3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine is CNC(CCc1cccc(C2CCC2)c1)C1CC1.
What is the InChIKey of 3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is GDCNTCUONQVTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-18-17(15-9-10-15)11-8-13-4-2-7-16(12-13)14-5-3-6-14/h2,4,7,12,14-15,17-18H,3,5-6,8-11H2,1H3.
What are the key properties of 3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine?
3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutylphenyl)-1-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 114606285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).