N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline

C12H18N4O2 — CID 80918855

IUPACN-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
SMILESCN(CC1CCC1)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-15(8-9-4-2-5-9)11-7-3-6-10(14-13)12(11)16(17)18/h3,6-7,9,14H,2,4-5,8,13H2,1H3
InChIKeyYNWOWNIRSIEKJM-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.12
Rot. Bonds5

About N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline

N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline (PubChem CID 80918855) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
PubChem CID80918855
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
SMILESCN(CC1CCC1)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-15(8-9-4-2-5-9)11-7-3-6-10(14-13)12(11)16(17)18/h3,6-7,9,14H,2,4-5,8,13H2,1H3
InChIKeyYNWOWNIRSIEKJM-UHFFFAOYSA-N
XLogP2.12
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.12
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-(cyclohexylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline
CID 80895882
3-N-(cyclobutylmethyl)-1-N-ethyl-3-N-methyl-2-nitrobenzene-1,3-diamine
CID 80825696
3-hydrazinyl-N-methyl-2-nitro-N-(2,2,2-trifluoroethyl)aniline
CID 80899062
3-hydrazinyl-N-methyl-2-nitro-N-pentylaniline
CID 80895010
3-hydrazinyl-N-methyl-2-nitro-N-(2-phenylethyl)aniline
CID 80924180
3-hydrazinyl-N-methyl-2-nitro-N-(3,3,3-trifluoropropyl)aniline
CID 80925776
3-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]-2-nitroaniline
CID 80913076
N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide
CID 115992755
2-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80900074
1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 80902402
N-(3-hydrazinyl-2-nitrophenyl)-N-methyloxolan-3-amine
CID 82747807
3-(3-hydrazinyl-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918774

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline?
The IUPAC name of N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline (CID 80918855) is N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline.
What is the SMILES notation for N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline?
The canonical SMILES for N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline is CN(CC1CCC1)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline?
The InChIKey is YNWOWNIRSIEKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15(8-9-4-2-5-9)11-7-3-6-10(14-13)12(11)16(17)18/h3,6-7,9,14H,2,4-5,8,13H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline?
N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline has a molecular weight of 250.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-hydrazinyl-N-methyl-2-nitroaniline is sourced from PubChem (CID 80918855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).