4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine

C10H18N2 — CID 153404596

IUPAC4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine
SMILES[H]/N=C/C(=C\C)C1CCC(N)CC1
InChIInChI=1S/C10H18N2/c1-2-8(7-11)9-3-5-10(12)6-4-9/h2,7,9-11H,3-6,12H2,1H3/b8-2+,11-7+
InChIKeyPETZAJPHLMUHRR-WCYMNSDHSA-N
MW166.27 g/mol
LogP2.10
Rot. Bonds2

About 4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine

4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine (PubChem CID 153404596) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine
PubChem CID153404596
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine
SMILES[H]/N=C/C(=C\C)C1CCC(N)CC1
InChIInChI=1S/C10H18N2/c1-2-8(7-11)9-3-5-10(12)6-4-9/h2,7,9-11H,3-6,12H2,1H3/b8-2+,11-7+
InChIKeyPETZAJPHLMUHRR-WCYMNSDHSA-N
XLogP2.10
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-7,7-difluoro-1-iminohept-2-en-2-yl]cyclohexan-1-amine
CID 146392371
5-Cyclohexyl-2-methyl-2,3-dihydropyridin-3-amine
CID 57286917
4-(3-Methylbut-2-enyl)cyclohexan-1-amine
CID 68461562
4-(2-Methylprop-1-enyl)cyclohexan-1-amine
CID 83262110
4-[(E)-5-propan-2-yliminopent-3-en-2-yl]cyclohexan-1-amine
CID 123932490
4-(2-Methanimidoylcyclobuta-1,3-dien-1-yl)cyclohexan-1-amine
CID 130467917
3-(2-Methanimidoylcyclobuta-1,3-dien-1-yl)cyclohexan-1-amine
CID 130467930
4-[(E)-2-(4-aminocyclohexyl)prop-1-enyl]cyclohexan-1-amine
CID 141736258
4-[(E)-7-aminohept-3-en-4-yl]cyclohexan-1-amine
CID 141955442
4-[3-[(Z)-prop-1-enyl]iminoprop-1-en-2-yl]cyclohexan-1-amine
CID 143594629
4-[(Z)-2-iminohex-3-en-3-yl]cyclohexan-1-amine
CID 144321613
4-(3-Methyl-2,3-dihydropyridin-6-yl)cyclohexan-1-amine
CID 144780867

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine?
The IUPAC name of 4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine (CID 153404596) is 4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine is [H]/N=C/C(=C\C)C1CCC(N)CC1.
What is the InChIKey of 4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine?
The InChIKey is PETZAJPHLMUHRR-WCYMNSDHSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-8(7-11)9-3-5-10(12)6-4-9/h2,7,9-11H,3-6,12H2,1H3/b8-2+,11-7+.
What are the key properties of 4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine?
4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-iminobut-2-en-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 153404596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).