(1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine

C10H16N2 — CID 163951187

IUPAC(1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine
SMILES[H]/N=C1C(=C\C(=C)C)/CCC[C@@H]/1N
InChIInChI=1S/C10H16N2/c1-7(2)6-8-4-3-5-9(11)10(8)12/h6,9,12H,1,3-5,11H2,2H3/b8-6-,12-10-/t9-/m0/s1
InChIKeyRZLNLRIASUTXAR-MRGRHJOHSA-N
MW164.25 g/mol
LogP2.02
Rot. Bonds1

About (1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine

(1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine (PubChem CID 163951187) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine.

Molecular Properties

Compound Name(1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine
PubChem CID163951187
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine
SMILES[H]/N=C1C(=C\C(=C)C)/CCC[C@@H]/1N
InChIInChI=1S/C10H16N2/c1-7(2)6-8-4-3-5-9(11)10(8)12/h6,9,12H,1,3-5,11H2,2H3/b8-6-,12-10-/t9-/m0/s1
InChIKeyRZLNLRIASUTXAR-MRGRHJOHSA-N
XLogP2.02
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.02
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

2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine
CID 88976714
6-Imino-2,5-dimethylcyclohexa-2,4-dien-1-amine
CID 89331862
2-Imino-4-methylcyclohex-3-en-1-amine
CID 91018476
1-(6-Iminocyclohexen-1-yl)ethanamine
CID 123374353
1-(2,3-Dihydropyridin-6-yl)-5-methyloct-4-en-1-amine
CID 123499287
1-(3-Iminocyclohexen-1-yl)ethanamine
CID 123703939
N-(6-imino-2,5-dimethylcyclohexa-2,4-dien-1-yl)thiohydroxylamine
CID 126727062
(4Z)-4-ethylidene-3-iminodecan-5-amine
CID 132036830
3-Imino-4,5-dimethylidenecyclohexan-1-amine
CID 137397133
(3Z,5Z,8E)-7-methyl-2,7,9,10,11,12-hexahydro-1-benzazecine-8,12-diamine
CID 141773079
(3E,5Z)-7-imino-3-methylnona-3,5-diene-1,9-diamine
CID 142119048
ethane;(2Z)-3-imino-6-phosphanyl-2-propylidenecyclohexan-1-amine
CID 142832956

Frequently Asked Questions

What is the IUPAC name of (1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine?
The IUPAC name of (1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine (CID 163951187) is (1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine.
What is the SMILES notation for (1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine?
The canonical SMILES for (1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine is [H]/N=C1C(=C\C(=C)C)/CCC[C@@H]/1N.
What is the InChIKey of (1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine?
The InChIKey is RZLNLRIASUTXAR-MRGRHJOHSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)6-8-4-3-5-9(11)10(8)12/h6,9,12H,1,3-5,11H2,2H3/b8-6-,12-10-/t9-/m0/s1.
What are the key properties of (1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine?
(1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine has a molecular weight of 164.25 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3Z)-2-imino-3-(2-methylprop-2-enylidene)cyclohexan-1-amine is sourced from PubChem (CID 163951187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).