4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine

C12H20N2 — CID 143594629

IUPAC4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine
SMILESC=C(/C=N/C=C\C)C1CCC(N)CC1
InChIInChI=1S/C12H20N2/c1-3-8-14-9-10(2)11-4-6-12(13)7-5-11/h3,8-9,11-12H,2,4-7,13H2,1H3/b8-3-,14-9+
InChIKeyMVZQGDZQVJROHI-VWBGMLFYSA-N
MW192.31 g/mol
LogP2.66
Rot. Bonds3

About 4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine

4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine (PubChem CID 143594629) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine
PubChem CID143594629
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine
SMILESC=C(/C=N/C=C\C)C1CCC(N)CC1
InChIInChI=1S/C12H20N2/c1-3-8-14-9-10(2)11-4-6-12(13)7-5-11/h3,8-9,11-12H,2,4-7,13H2,1H3/b8-3-,14-9+
InChIKeyMVZQGDZQVJROHI-VWBGMLFYSA-N
XLogP2.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404764
4-[(Z,3E)-1-amino-3-(trifluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine;ethane
CID 153404815
4-[(Z,3E)-1-amino-3-(trifluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404816
4-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine
CID 153404946
4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]cyclohexan-1-amine;molecular hydrogen
CID 153404772
4-[(Z,3E)-1-amino-3-(difluoromethylimino)prop-1-en-2-yl]cyclohexan-1-amine;ethane
CID 153404945
(Z)-2-[(4-methylcyclohexyl)iminomethyl]but-1-en-1-amine
CID 153623067
(Z)-2-cyclohexyl-2-[(3-methyl-2-methylidenebutylidene)amino]ethenamine
CID 155204857
cyclohexyl(3H-pyrrol-2-yl)methanamine
CID 156575937
1-(3,4-dihydropyridin-3-yl)-N-methylpentan-1-amine
CID 163825885
3-(3-Butylcyclobutyl)imino-2-cyclohexylprop-1-en-1-amine
CID 173999216
2-(4-Ethenylcyclohexyl)-3-ethyliminoprop-1-en-1-amine
CID 174098593

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine (CID 143594629) is 4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine is C=C(/C=N/C=C\C)C1CCC(N)CC1.
What is the InChIKey of 4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine?
The InChIKey is MVZQGDZQVJROHI-VWBGMLFYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-8-14-9-10(2)11-4-6-12(13)7-5-11/h3,8-9,11-12H,2,4-7,13H2,1H3/b8-3-,14-9+.
What are the key properties of 4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine?
4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 143594629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).