4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine

C12H22N2 — CID 153404821

IUPAC4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine
SMILESCC/C=C\C(=N/C)C1CCC(N)CC1
InChIInChI=1S/C12H22N2/c1-3-4-5-12(14-2)10-6-8-11(13)9-7-10/h4-5,10-11H,3,6-9,13H2,1-2H3/b5-4-,14-12+
InChIKeyUPRRTFMHXGNKOP-NPKGFUJDSA-N
MW194.32 g/mol
LogP2.54
Rot. Bonds3

About 4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine

4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine (PubChem CID 153404821) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine
PubChem CID153404821
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine
SMILESCC/C=C\C(=N/C)C1CCC(N)CC1
InChIInChI=1S/C12H22N2/c1-3-4-5-12(14-2)10-6-8-11(13)9-7-10/h4-5,10-11H,3,6-9,13H2,1-2H3/b5-4-,14-12+
InChIKeyUPRRTFMHXGNKOP-NPKGFUJDSA-N
XLogP2.54
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.54
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-(4-Fluoro-2-imino-3-methylhept-6-enyl)cyclohexan-1-amine
CID 134429981
Cyclopropyl-(3-methyl-2,3-dihydropyridin-6-yl)methanamine
CID 91269933
(Z)-3-ethyl-4-methyliminonon-5-en-1-amine
CID 91420602
2-[(6-Methylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123211734
1-(5-Imino-6-methylcyclohex-3-en-1-yl)ethanamine
CID 123217836
(4-Propyliminocyclohex-2-en-1-yl)methanamine
CID 123339384
1-(4-ethylcyclohexyl)-2-methyl-3,7-dihydro-2H-azepin-6-imine
CID 123377160
2-[(4-Propan-2-ylcyclohex-2-en-1-ylidene)amino]ethanamine
CID 123495440
(4-Butyliminocyclohex-2-en-1-yl)methanamine
CID 123602996
(4-Methyliminocyclohex-2-en-1-yl)methanamine
CID 123703590
1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine
CID 123751081
4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine
CID 123932490

Frequently Asked Questions

What is the IUPAC name of 4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine?
The IUPAC name of 4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine (CID 153404821) is 4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine?
The canonical SMILES for 4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine is CC/C=C\C(=N/C)C1CCC(N)CC1.
What is the InChIKey of 4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine?
The InChIKey is UPRRTFMHXGNKOP-NPKGFUJDSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-4-5-12(14-2)10-6-8-11(13)9-7-10/h4-5,10-11H,3,6-9,13H2,1-2H3/b5-4-,14-12+.
What are the key properties of 4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine?
4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-[(Z)-but-1-enyl]-N-methylcarbonimidoyl]cyclohexan-1-amine is sourced from PubChem (CID 153404821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).