1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine

C15H19N — CID 144873831

IUPAC1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
SMILESC=C(C)C1(c2ccc(C3(N)CC3)cc2)CC1
InChIInChI=1S/C15H19N/c1-11(2)14(7-8-14)12-3-5-13(6-4-12)15(16)9-10-15/h3-6H,1,7-10,16H2,2H3
InChIKeyVSMCNVWDODFUCZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.24
Rot. Bonds3

About 1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine

1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine (PubChem CID 144873831) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
PubChem CID144873831
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
SMILESC=C(C)C1(c2ccc(C3(N)CC3)cc2)CC1
InChIInChI=1S/C15H19N/c1-11(2)14(7-8-14)12-3-5-13(6-4-12)15(16)9-10-15/h3-6H,1,7-10,16H2,2H3
InChIKeyVSMCNVWDODFUCZ-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine (CID 144873831) is 1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine is C=C(C)C1(c2ccc(C3(N)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine?
The InChIKey is VSMCNVWDODFUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-11(2)14(7-8-14)12-3-5-13(6-4-12)15(16)9-10-15/h3-6H,1,7-10,16H2,2H3.
What are the key properties of 1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine?
1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 144873831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).