(3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine

C12H22N2O — CID 154947579

IUPAC(3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine
SMILESCOCCCNC1=C/C(=C(\C)N)CCC1
InChIInChI=1S/C12H22N2O/c1-10(13)11-5-3-6-12(9-11)14-7-4-8-15-2/h9,14H,3-8,13H2,1-2H3/b11-10+
InChIKeyUISPQBBLVNDKFZ-ZHACJKMWSA-N
MW210.32 g/mol
LogP1.91
Rot. Bonds5

About (3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine

(3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine (PubChem CID 154947579) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine.

Molecular Properties

Compound Name(3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine
PubChem CID154947579
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine
SMILESCOCCCNC1=C/C(=C(\C)N)CCC1
InChIInChI=1S/C12H22N2O/c1-10(13)11-5-3-6-12(9-11)14-7-4-8-15-2/h9,14H,3-8,13H2,1-2H3/b11-10+
InChIKeyUISPQBBLVNDKFZ-ZHACJKMWSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine?
The IUPAC name of (3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine (CID 154947579) is (3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine.
What is the SMILES notation for (3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine?
The canonical SMILES for (3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine is COCCCNC1=C/C(=C(\C)N)CCC1.
What is the InChIKey of (3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine?
The InChIKey is UISPQBBLVNDKFZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(13)11-5-3-6-12(9-11)14-7-4-8-15-2/h9,14H,3-8,13H2,1-2H3/b11-10+.
What are the key properties of (3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine?
(3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-aminoethylidene)-N-(3-methoxypropyl)cyclohexen-1-amine is sourced from PubChem (CID 154947579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).