(Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine

C19H30N4 — CID 139454009

IUPAC(Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine
SMILESC1=CC/C(=N\C=C/NCN2CCNC(C3CCCCC3)C2)C=C1
InChIInChI=1S/C19H30N4/c1-3-7-17(8-4-1)19-15-23(14-13-22-19)16-20-11-12-21-18-9-5-2-6-10-18/h2,5-6,9,11-12,17,19-20,22H,1,3-4,7-8,10,13-16H2/b12-11-,21-18-
InChIKeyBBGFGGMILMPXMZ-AKFHJJIWSA-N
MW314.48 g/mol
LogP2.82
Rot. Bonds5

About (Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine

(Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine (PubChem CID 139454009) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is (Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine.

Molecular Properties

Compound Name(Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine
PubChem CID139454009
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name(Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine
SMILESC1=CC/C(=N\C=C/NCN2CCNC(C3CCCCC3)C2)C=C1
InChIInChI=1S/C19H30N4/c1-3-7-17(8-4-1)19-15-23(14-13-22-19)16-20-11-12-21-18-9-5-2-6-10-18/h2,5-6,9,11-12,17,19-20,22H,1,3-4,7-8,10,13-16H2/b12-11-,21-18-
InChIKeyBBGFGGMILMPXMZ-AKFHJJIWSA-N
XLogP2.82
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine?
The IUPAC name of (Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine (CID 139454009) is (Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine.
What is the SMILES notation for (Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine?
The canonical SMILES for (Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine is C1=CC/C(=N\C=C/NCN2CCNC(C3CCCCC3)C2)C=C1.
What is the InChIKey of (Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine?
The InChIKey is BBGFGGMILMPXMZ-AKFHJJIWSA-N. The full InChI is InChI=1S/C19H30N4/c1-3-7-17(8-4-1)19-15-23(14-13-22-19)16-20-11-12-21-18-9-5-2-6-10-18/h2,5-6,9,11-12,17,19-20,22H,1,3-4,7-8,10,13-16H2/b12-11-,21-18-.
What are the key properties of (Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine?
(Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine has a molecular weight of 314.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(cyclohexa-2,4-dien-1-ylideneamino)-N-[(3-cyclohexylpiperazin-1-yl)methyl]ethenamine is sourced from PubChem (CID 139454009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).