(Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine

C10H16N2 — CID 66582212

IUPAC(Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine
SMILESC=NC1=C(/C=C\CN)CCCC1
InChIInChI=1S/C10H16N2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h4,6H,1-3,5,7-8,11H2/b6-4-
InChIKeyQALIUFOEJFGVCS-XQRVVYSFSA-N
MW164.25 g/mol
LogP2.03
Rot. Bonds3

About (Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine

(Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine (PubChem CID 66582212) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine
PubChem CID66582212
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine
SMILESC=NC1=C(/C=C\CN)CCCC1
InChIInChI=1S/C10H16N2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h4,6H,1-3,5,7-8,11H2/b6-4-
InChIKeyQALIUFOEJFGVCS-XQRVVYSFSA-N
XLogP2.03
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine (CID 66582212) is (Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine is C=NC1=C(/C=C\CN)CCCC1.
What is the InChIKey of (Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine?
The InChIKey is QALIUFOEJFGVCS-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h4,6H,1-3,5,7-8,11H2/b6-4-.
What are the key properties of (Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine?
(Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine has a molecular weight of 164.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(methylideneamino)cyclohexen-1-yl]prop-2-en-1-amine is sourced from PubChem (CID 66582212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).