1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine

C12H19N — CID 126604534

IUPAC1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine
SMILESC=CC1=CCC(CC2(N)CC2)CC1
InChIInChI=1S/C12H19N/c1-2-10-3-5-11(6-4-10)9-12(13)7-8-12/h2-3,11H,1,4-9,13H2
InChIKeyALYFLTONXHCQGR-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.78
Rot. Bonds3

About 1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine

1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine (PubChem CID 126604534) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine
PubChem CID126604534
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine
SMILESC=CC1=CCC(CC2(N)CC2)CC1
InChIInChI=1S/C12H19N/c1-2-10-3-5-11(6-4-10)9-12(13)7-8-12/h2-3,11H,1,4-9,13H2
InChIKeyALYFLTONXHCQGR-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine (CID 126604534) is 1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine is C=CC1=CCC(CC2(N)CC2)CC1.
What is the InChIKey of 1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine?
The InChIKey is ALYFLTONXHCQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-2-10-3-5-11(6-4-10)9-12(13)7-8-12/h2-3,11H,1,4-9,13H2.
What are the key properties of 1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine?
1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 126604534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).