(Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine

C15H20N4O2 — CID 143912497

IUPAC(Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine
SMILESN/C(=C\N(N)Cc1ccc([N+](=O)[O-])cc1)C1=CCCCC1
InChIInChI=1S/C15H20N4O2/c16-15(13-4-2-1-3-5-13)11-18(17)10-12-6-8-14(9-7-12)19(20)21/h4,6-9,11H,1-3,5,10,16-17H2/b15-11-
InChIKeyKUXOBUBWZAWLFJ-PTNGSMBKSA-N
MW288.35 g/mol
LogP2.57
Rot. Bonds5

About (Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine

(Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine (PubChem CID 143912497) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine.

Molecular Properties

Compound Name(Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine
PubChem CID143912497
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine
SMILESN/C(=C\N(N)Cc1ccc([N+](=O)[O-])cc1)C1=CCCCC1
InChIInChI=1S/C15H20N4O2/c16-15(13-4-2-1-3-5-13)11-18(17)10-12-6-8-14(9-7-12)19(20)21/h4,6-9,11H,1-3,5,10,16-17H2/b15-11-
InChIKeyKUXOBUBWZAWLFJ-PTNGSMBKSA-N
XLogP2.57
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine?
The IUPAC name of (Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine (CID 143912497) is (Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine.
What is the SMILES notation for (Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine?
The canonical SMILES for (Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine is N/C(=C\N(N)Cc1ccc([N+](=O)[O-])cc1)C1=CCCCC1.
What is the InChIKey of (Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine?
The InChIKey is KUXOBUBWZAWLFJ-PTNGSMBKSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-15(13-4-2-1-3-5-13)11-18(17)10-12-6-8-14(9-7-12)19(20)21/h4,6-9,11H,1-3,5,10,16-17H2/b15-11-.
What are the key properties of (Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine?
(Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine has a molecular weight of 288.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino-[(4-nitrophenyl)methyl]amino]-1-(cyclohexen-1-yl)ethenamine is sourced from PubChem (CID 143912497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).