N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine

C15H24N4O2 — CID 62244217

IUPACN-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2cc([N+](=O)[O-])ccc2NN)CC1
InChIInChI=1S/C15H24N4O2/c1-11-3-5-13(6-4-11)18(2)10-12-9-14(19(20)21)7-8-15(12)17-16/h7-9,11,13,17H,3-6,10,16H2,1-2H3
InChIKeyHHLWOFSDFZJCAM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.89
Rot. Bonds5

About N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine

N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 62244217) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID62244217
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2cc([N+](=O)[O-])ccc2NN)CC1
InChIInChI=1S/C15H24N4O2/c1-11-3-5-13(6-4-11)18(2)10-12-9-14(19(20)21)7-8-15(12)17-16/h7-9,11,13,17H,3-6,10,16H2,1-2H3
InChIKeyHHLWOFSDFZJCAM-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

2-[[cyclopropyl(methyl)amino]methyl]-N-methyl-4-nitroaniline
CID 62183239
2-[[cyclopropyl(methyl)amino]methyl]-4-nitro-N-propylaniline
CID 62183419
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine
CID 64520066
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 62546828
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62247043
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743198
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine
CID 62245318
N-(cyclobutylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]ethanamine
CID 107401482
N-methyl-2-[[methyl-(2-methylcyclohexyl)amino]methyl]-4-nitroaniline
CID 62208250
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465341
[2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine
CID 62244516
N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 61448511

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine (CID 62244217) is N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine is CC1CCC(N(C)Cc2cc([N+](=O)[O-])ccc2NN)CC1.
What is the InChIKey of N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is HHLWOFSDFZJCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-3-5-13(6-4-11)18(2)10-12-9-14(19(20)21)7-8-15(12)17-16/h7-9,11,13,17H,3-6,10,16H2,1-2H3.
What are the key properties of N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine?
N-[(2-hydrazinyl-5-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-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 62244217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).