N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine

C13H20N4O3 — CID 62245323

IUPACN-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCN(Cc1ccc(NN)c([N+](=O)[O-])c1)CC1CCCO1
InChIInChI=1S/C13H20N4O3/c1-16(9-11-3-2-6-20-11)8-10-4-5-12(15-14)13(7-10)17(18)19/h4-5,7,11,15H,2-3,6,8-9,14H2,1H3
InChIKeyIHYADEOKEXKTMG-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.49
Rot. Bonds6

About N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine

N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 62245323) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID62245323
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCN(Cc1ccc(NN)c([N+](=O)[O-])c1)CC1CCCO1
InChIInChI=1S/C13H20N4O3/c1-16(9-11-3-2-6-20-11)8-10-4-5-12(15-14)13(7-10)17(18)19/h4-5,7,11,15H,2-3,6,8-9,14H2,1H3
InChIKeyIHYADEOKEXKTMG-UHFFFAOYSA-N
XLogP1.49
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.49
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

N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62246253
N-[(4-chloro-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 61431591
4-hydrazinyl-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 62247819
[2-nitro-4-(oxolan-2-ylmethylsulfanylmethyl)phenyl]hydrazine
CID 106495807
[2-nitro-4-(oxan-2-ylmethoxymethyl)phenyl]hydrazine
CID 62244881
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 62244773
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62247043
4-ethyl-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 155137381
2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61436320
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754591
[4-[ethyl(oxolan-2-ylmethyl)amino]-3-nitrophenyl]methanol
CID 61434531
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-propylpropan-1-amine
CID 55051188

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine (CID 62245323) is N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine is CN(Cc1ccc(NN)c([N+](=O)[O-])c1)CC1CCCO1.
What is the InChIKey of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is IHYADEOKEXKTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-16(9-11-3-2-6-20-11)8-10-4-5-12(15-14)13(7-10)17(18)19/h4-5,7,11,15H,2-3,6,8-9,14H2,1H3.
What are the key properties of N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 280.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 62245323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).