5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine

C22H32N4 — CID 134604871

IUPAC5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine
SMILESC=C/N=C1/C(NC=C)=CC(C2CCCCC2)=C/C1=N\C1CCC(N)CC1
InChIInChI=1S/C22H32N4/c1-3-24-20-14-17(16-8-6-5-7-9-16)15-21(22(20)25-4-2)26-19-12-10-18(23)11-13-19/h3-4,14-16,18-19,24H,1-2,5-13,23H2/b25-22-,26-21+
InChIKeyHTTHCHBUQKGCDA-XWXJJTGNSA-N
MW352.53 g/mol
LogP4.42
Rot. Bonds5

About 5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine

5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine (PubChem CID 134604871) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine
PubChem CID134604871
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Name5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine
SMILESC=C/N=C1/C(NC=C)=CC(C2CCCCC2)=C/C1=N\C1CCC(N)CC1
InChIInChI=1S/C22H32N4/c1-3-24-20-14-17(16-8-6-5-7-9-16)15-21(22(20)25-4-2)26-19-12-10-18(23)11-13-19/h3-4,14-16,18-19,24H,1-2,5-13,23H2/b25-22-,26-21+
InChIKeyHTTHCHBUQKGCDA-XWXJJTGNSA-N
XLogP4.42
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine (CID 134604871) is 5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine is C=C/N=C1/C(NC=C)=CC(C2CCCCC2)=C/C1=N\C1CCC(N)CC1.
What is the InChIKey of 5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine?
The InChIKey is HTTHCHBUQKGCDA-XWXJJTGNSA-N. The full InChI is InChI=1S/C22H32N4/c1-3-24-20-14-17(16-8-6-5-7-9-16)15-21(22(20)25-4-2)26-19-12-10-18(23)11-13-19/h3-4,14-16,18-19,24H,1-2,5-13,23H2/b25-22-,26-21+.
What are the key properties of 5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine?
5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine has a molecular weight of 352.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminocyclohexyl)imino-3-cyclohexyl-N-ethenyl-6-ethenyliminocyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 134604871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).