2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine

C12H22N2 — CID 163971122

IUPAC2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine
SMILESC=CCC1CCCC(C(CN)N=C)C1
InChIInChI=1S/C12H22N2/c1-3-5-10-6-4-7-11(8-10)12(9-13)14-2/h3,10-12H,1-2,4-9,13H2
InChIKeySQBMVMACRXQWJR-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.40
Rot. Bonds5

About 2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine

2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine (PubChem CID 163971122) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine
PubChem CID163971122
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine
SMILESC=CCC1CCCC(C(CN)N=C)C1
InChIInChI=1S/C12H22N2/c1-3-5-10-6-4-7-11(8-10)12(9-13)14-2/h3,10-12H,1-2,4-9,13H2
InChIKeySQBMVMACRXQWJR-UHFFFAOYSA-N
XLogP2.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine?
The IUPAC name of 2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine (CID 163971122) is 2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine?
The canonical SMILES for 2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine is C=CCC1CCCC(C(CN)N=C)C1.
What is the InChIKey of 2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine?
The InChIKey is SQBMVMACRXQWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-5-10-6-4-7-11(8-10)12(9-13)14-2/h3,10-12H,1-2,4-9,13H2.
What are the key properties of 2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine?
2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine has a molecular weight of 194.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylideneamino)-2-(3-prop-2-enylcyclohexyl)ethanamine is sourced from PubChem (CID 163971122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).