[2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine

C15H24N4O2 — CID 65281765

IUPAC[2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine
SMILESCC1(C)CCCN(Cc2cc([N+](=O)[O-])ccc2NN)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2)6-3-8-18(9-7-15)11-12-10-13(19(20)21)4-5-14(12)17-16/h4-5,10,17H,3,6-9,11,16H2,1-2H3
InChIKeyVBCGAIYWHSIMQG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.89
Rot. Bonds4

About [2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine

[2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine (PubChem CID 65281765) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine
PubChem CID65281765
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine
SMILESCC1(C)CCCN(Cc2cc([N+](=O)[O-])ccc2NN)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2)6-3-8-18(9-7-15)11-12-10-13(19(20)21)4-5-14(12)17-16/h4-5,10,17H,3,6-9,11,16H2,1-2H3
InChIKeyVBCGAIYWHSIMQG-UHFFFAOYSA-N
XLogP2.89
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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-(azepan-1-ylmethyl)-4-nitrophenyl]hydrazine
CID 62244610
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methyl-4-nitroaniline
CID 62932506
[4-nitro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 103502418
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-3-methylpiperidin-2-one
CID 104680423
4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one
CID 62246881
[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine
CID 62245888
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465341
2-(8-azaspiro[4.5]decan-8-ylmethyl)-4-nitroaniline
CID 63159765
[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 83221769
N-ethyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-4-nitroaniline
CID 62184650
N-methyl-4-nitro-2-(thiomorpholin-4-ylmethyl)aniline
CID 62177535
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]-4-nitroaniline
CID 62178916

Frequently Asked Questions

What is the IUPAC name of [2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine?
The IUPAC name of [2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine (CID 65281765) is [2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine is CC1(C)CCCN(Cc2cc([N+](=O)[O-])ccc2NN)CC1.
What is the InChIKey of [2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine?
The InChIKey is VBCGAIYWHSIMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2)6-3-8-18(9-7-15)11-12-10-13(19(20)21)4-5-14(12)17-16/h4-5,10,17H,3,6-9,11,16H2,1-2H3.
What are the key properties of [2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine?
[2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine has a molecular weight of 292.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine is sourced from PubChem (CID 65281765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).