4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine

C14H24N2 — CID 163760791

IUPAC4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine
SMILES[H]N=C1CCC(CC=C2CCC(N)CC2)CC1
InChIInChI=1S/C14H24N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1,12-13,16H,2-10,15H2/b11-1-,16-14-
InChIKeyLXZMZDLWENPCKB-IFSNYCEXSA-N
MW220.36 g/mol
LogP3.41
Rot. Bonds2

About 4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine

4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine (PubChem CID 163760791) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine
PubChem CID163760791
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine
SMILES[H]N=C1CCC(CC=C2CCC(N)CC2)CC1
InChIInChI=1S/C14H24N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1,12-13,16H,2-10,15H2/b11-1-,16-14-
InChIKeyLXZMZDLWENPCKB-IFSNYCEXSA-N
XLogP3.41
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Cyclohexylmethyl)cyclohex-3-en-1-amine
CID 53668050
2-(Cyclohexylmethylidene)cyclohexan-1-amine
CID 66930772
1,2,3,5,6,7,8,8a-Octahydronaphthalen-1-amine
CID 67951578
4-Cyclohexylcyclohex-3-en-1-amine
CID 83262406
4-[1-(4-Aminocyclohexyl)prop-1-enyl]cyclohexan-1-amine
CID 89538613
3-(Cycloundecen-1-yl)-2-iminocycloundecan-1-amine
CID 91393172
4-Imino-2,5-dimethylcyclohex-2-en-1-amine
CID 123524045
8-Cyclohexyl-7-cyclohexylidene-8-iminooctan-1-amine
CID 123565693
(4-Cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)-(2-iminocyclohexyl)methanamine
CID 123666967
6-Cyclohexyl-5-cyclohexylidene-6-iminohexan-1-amine
CID 124005809
4-(2-Cyclohexylprop-1-enyl)cyclohexan-1-amine
CID 140417086
4-[(E)-2-(4-aminocyclohexyl)prop-1-enyl]cyclohexan-1-amine
CID 141736258

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine?
The IUPAC name of 4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine (CID 163760791) is 4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine?
The canonical SMILES for 4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine is [H]N=C1CCC(CC=C2CCC(N)CC2)CC1.
What is the InChIKey of 4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine?
The InChIKey is LXZMZDLWENPCKB-IFSNYCEXSA-N. The full InChI is InChI=1S/C14H24N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1,12-13,16H,2-10,15H2/b11-1-,16-14-.
What are the key properties of 4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine?
4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-iminocyclohexyl)ethylidene]cyclohexan-1-amine is sourced from PubChem (CID 163760791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).