(4-prop-1-en-2-ylcyclohexen-1-yl)methanamine

C10H17N — CID 10374618

IUPAC(4-prop-1-en-2-ylcyclohexen-1-yl)methanamine
SMILESC=C(C)C1CC=C(CN)CC1
InChIInChI=1S/C10H17N/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10H,1,4-7,11H2,2H3
InChIKeyLEFDFSDZBGZSER-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.25
Rot. Bonds2

About (4-prop-1-en-2-ylcyclohexen-1-yl)methanamine

(4-prop-1-en-2-ylcyclohexen-1-yl)methanamine (PubChem CID 10374618) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (4-prop-1-en-2-ylcyclohexen-1-yl)methanamine.

Molecular Properties

Compound Name(4-prop-1-en-2-ylcyclohexen-1-yl)methanamine
PubChem CID10374618
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(4-prop-1-en-2-ylcyclohexen-1-yl)methanamine
SMILESC=C(C)C1CC=C(CN)CC1
InChIInChI=1S/C10H17N/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10H,1,4-7,11H2,2H3
InChIKeyLEFDFSDZBGZSER-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.25
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 (4-prop-1-en-2-ylcyclohexen-1-yl)methanamine?
The IUPAC name of (4-prop-1-en-2-ylcyclohexen-1-yl)methanamine (CID 10374618) is (4-prop-1-en-2-ylcyclohexen-1-yl)methanamine.
What is the SMILES notation for (4-prop-1-en-2-ylcyclohexen-1-yl)methanamine?
The canonical SMILES for (4-prop-1-en-2-ylcyclohexen-1-yl)methanamine is C=C(C)C1CC=C(CN)CC1.
What is the InChIKey of (4-prop-1-en-2-ylcyclohexen-1-yl)methanamine?
The InChIKey is LEFDFSDZBGZSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10H,1,4-7,11H2,2H3.
What are the key properties of (4-prop-1-en-2-ylcyclohexen-1-yl)methanamine?
(4-prop-1-en-2-ylcyclohexen-1-yl)methanamine has a molecular weight of 151.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-1-en-2-ylcyclohexen-1-yl)methanamine is sourced from PubChem (CID 10374618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).