3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine

C16H23N — CID 115898654

IUPAC3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
SMILESc1ccc(C(NCCCC2CC2)C2CC2)cc1
InChIInChI=1S/C16H23N/c1-2-6-14(7-3-1)16(15-10-11-15)17-12-4-5-13-8-9-13/h1-3,6-7,13,15-17H,4-5,8-12H2
InChIKeyZRYLBSIFJOEWAZ-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.92
Rot. Bonds7

About 3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine

3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine (PubChem CID 115898654) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
PubChem CID115898654
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
SMILESc1ccc(C(NCCCC2CC2)C2CC2)cc1
InChIInChI=1S/C16H23N/c1-2-6-14(7-3-1)16(15-10-11-15)17-12-4-5-13-8-9-13/h1-3,6-7,13,15-17H,4-5,8-12H2
InChIKeyZRYLBSIFJOEWAZ-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898221
N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 61312376
N-[cyclohexyl(phenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516535
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
2-[3-[[cyclopropyl(phenyl)methyl]amino]propyl]isoindole-1,3-dione
CID 112809038
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine
CID 61311612
4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
1-cyclopropyl-1-phenyl-N-(thian-4-ylmethyl)methanamine
CID 115898442

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine (CID 115898654) is 3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine is c1ccc(C(NCCCC2CC2)C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine?
The InChIKey is ZRYLBSIFJOEWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-6-14(7-3-1)16(15-10-11-15)17-12-4-5-13-8-9-13/h1-3,6-7,13,15-17H,4-5,8-12H2.
What are the key properties of 3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine?
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine is sourced from PubChem (CID 115898654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).