1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine

C14H23N5O2 — CID 81465341

IUPAC1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(Cc2cc([N+](=O)[O-])ccc2NN)CC1N(C)C
InChIInChI=1S/C14H23N5O2/c1-10-7-18(9-14(10)17(2)3)8-11-6-12(19(20)21)4-5-13(11)16-15/h4-6,10,14,16H,7-9,15H2,1-3H3
InChIKeyMOFNKDGLNZMPMN-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.26
Rot. Bonds5

About 1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81465341) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81465341
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(Cc2cc([N+](=O)[O-])ccc2NN)CC1N(C)C
InChIInChI=1S/C14H23N5O2/c1-10-7-18(9-14(10)17(2)3)8-11-6-12(19(20)21)4-5-13(11)16-15/h4-6,10,14,16H,7-9,15H2,1-3H3
InChIKeyMOFNKDGLNZMPMN-UHFFFAOYSA-N
XLogP1.26
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
[4-nitro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 103502418
[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 83221769
N,N,4-trimethyl-1-[[4-(methylamino)-3-nitrophenyl]methyl]pyrrolidin-3-amine
CID 81464111
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62244217
[2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 65281765
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743198
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-3-methylpiperidin-2-one
CID 104680423
4-[(2-hydrazinyl-5-nitrophenyl)methyl]piperazin-2-one
CID 62246881
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 62546828
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512782
N-methyl-4-nitro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)aniline
CID 66370193

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81465341) is 1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(Cc2cc([N+](=O)[O-])ccc2NN)CC1N(C)C.
What is the InChIKey of 1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is MOFNKDGLNZMPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10-7-18(9-14(10)17(2)3)8-11-6-12(19(20)21)4-5-13(11)16-15/h4-6,10,14,16H,7-9,15H2,1-3H3.
What are the key properties of 1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 293.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81465341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).