1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine

C16H23N — CID 79332606

IUPAC1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine
SMILESCCCC1CC1(N)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H23N/c1-2-7-14-12-16(14,17)15(10-6-11-15)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12,17H2,1H3
InChIKeyHKVRFMQKNRQHHW-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.63
Rot. Bonds4

About 1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine

1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine (PubChem CID 79332606) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine
PubChem CID79332606
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine
SMILESCCCC1CC1(N)C1(c2ccccc2)CCC1
InChIInChI=1S/C16H23N/c1-2-7-14-12-16(14,17)15(10-6-11-15)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12,17H2,1H3
InChIKeyHKVRFMQKNRQHHW-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine?
The IUPAC name of 1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine (CID 79332606) is 1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine.
What is the SMILES notation for 1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine?
The canonical SMILES for 1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine is CCCC1CC1(N)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine?
The InChIKey is HKVRFMQKNRQHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-7-14-12-16(14,17)15(10-6-11-15)13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12,17H2,1H3.
What are the key properties of 1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine?
1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclobutyl)-2-propylcyclopropan-1-amine is sourced from PubChem (CID 79332606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).