N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine

C14H21N — CID 135680314

IUPACN-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine
SMILESC1=CC/C(=C/CNC2CCCCC2)C=C1
InChIInChI=1S/C14H21N/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1,3-4,7,11,14-15H,2,5-6,8-10,12H2/b13-11+
InChIKeyKJABLLJXTXPGGK-ACCUITESSA-N
MW203.33 g/mol
LogP3.35
Rot. Bonds3

About N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine

N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine (PubChem CID 135680314) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine
PubChem CID135680314
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine
SMILESC1=CC/C(=C/CNC2CCCCC2)C=C1
InChIInChI=1S/C14H21N/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1,3-4,7,11,14-15H,2,5-6,8-10,12H2/b13-11+
InChIKeyKJABLLJXTXPGGK-ACCUITESSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine?
The IUPAC name of N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine (CID 135680314) is N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine.
What is the SMILES notation for N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine?
The canonical SMILES for N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine is C1=CC/C(=C/CNC2CCCCC2)C=C1.
What is the InChIKey of N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine?
The InChIKey is KJABLLJXTXPGGK-ACCUITESSA-N. The full InChI is InChI=1S/C14H21N/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h1,3-4,7,11,14-15H,2,5-6,8-10,12H2/b13-11+.
What are the key properties of N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine?
N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine has a molecular weight of 203.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-cyclohexa-2,4-dien-1-ylideneethyl]cyclohexanamine is sourced from PubChem (CID 135680314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).