N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine

C15H24N4O2 — CID 62247043

IUPACN-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2ccc(NN)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H24N4O2/c1-11-3-6-13(7-4-11)18(2)10-12-5-8-14(17-16)15(9-12)19(20)21/h5,8-9,11,13,17H,3-4,6-7,10,16H2,1-2H3
InChIKeyMPRMRDMJRKAEGB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.89
Rot. Bonds5

About N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine

N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 62247043) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID62247043
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2ccc(NN)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H24N4O2/c1-11-3-6-13(7-4-11)18(2)10-12-5-8-14(17-16)15(9-12)19(20)21/h5,8-9,11,13,17H,3-4,6-7,10,16H2,1-2H3
InChIKeyMPRMRDMJRKAEGB-UHFFFAOYSA-N
XLogP2.89
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.89
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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Related Compounds

N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 62244773
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62244217
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
CID 55051188
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62244541
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 62245323
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62246253
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754591
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 62244966
2-ethoxy-N-ethyl-N-[(4-hydrazinyl-3-nitrophenyl)methyl]ethanamine
CID 63690351
[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 83045221

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine (CID 62247043) is N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine is CC1CCC(N(C)Cc2ccc(NN)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is MPRMRDMJRKAEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-3-6-13(7-4-11)18(2)10-12-5-8-14(17-16)15(9-12)19(20)21/h5,8-9,11,13,17H,3-4,6-7,10,16H2,1-2H3.
What are the key properties of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine?
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 292.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 62247043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).