4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine

C15H29N3O — CID 153404787

IUPAC4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine
SMILESCCCC(/N=C/C(=C\N)C1CCC(N)CC1)OCC
InChIInChI=1S/C15H29N3O/c1-3-5-15(19-4-2)18-11-13(10-16)12-6-8-14(17)9-7-12/h10-12,14-15H,3-9,16-17H2,1-2H3/b13-10+,18-11+
InChIKeyFOEXXAZWXLCINA-HWVXOFFASA-N
MW267.42 g/mol
LogP2.58
Rot. Bonds7

About 4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine

4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine (PubChem CID 153404787) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine
PubChem CID153404787
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine
SMILESCCCC(/N=C/C(=C\N)C1CCC(N)CC1)OCC
InChIInChI=1S/C15H29N3O/c1-3-5-15(19-4-2)18-11-13(10-16)12-6-8-14(17)9-7-12/h10-12,14-15H,3-9,16-17H2,1-2H3/b13-10+,18-11+
InChIKeyFOEXXAZWXLCINA-HWVXOFFASA-N
XLogP2.58
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-Amino-3-(oxan-2-ylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 148276761
4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine;molecular hydrogen
CID 153404772
4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine
CID 153404773

Frequently Asked Questions

What is the IUPAC name of 4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine (CID 153404787) is 4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine is CCCC(/N=C/C(=C\N)C1CCC(N)CC1)OCC.
What is the InChIKey of 4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine?
The InChIKey is FOEXXAZWXLCINA-HWVXOFFASA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-5-15(19-4-2)18-11-13(10-16)12-6-8-14(17)9-7-12/h10-12,14-15H,3-9,16-17H2,1-2H3/b13-10+,18-11+.
What are the key properties of 4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine?
4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z,3E)-1-amino-3-(1-ethoxybutylimino)prop-1-en-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 153404787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).