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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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).