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

C14H22N4O3 — CID 107353064

IUPACN-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
SMILESCN(Cc1cccc([N+](=O)[O-])c1NN)CC1CCCOC1
InChIInChI=1S/C14H22N4O3/c1-17(8-11-4-3-7-21-10-11)9-12-5-2-6-13(18(19)20)14(12)16-15/h2,5-6,11,16H,3-4,7-10,15H2,1H3
InChIKeyFBTPMZZXCVSSCG-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.74
Rot. Bonds6

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

N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 107353064) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID107353064
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
SMILESCN(Cc1cccc([N+](=O)[O-])c1NN)CC1CCCOC1
InChIInChI=1S/C14H22N4O3/c1-17(8-11-4-3-7-21-10-11)9-12-5-2-6-13(18(19)20)14(12)16-15/h2,5-6,11,16H,3-4,7-10,15H2,1H3
InChIKeyFBTPMZZXCVSSCG-UHFFFAOYSA-N
XLogP1.74
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.74
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-methyl-2-[[methyl(oxan-3-ylmethyl)amino]methyl]-6-nitroaniline
CID 107351334
2-[[methyl(oxan-3-ylmethyl)amino]methyl]-6-nitroaniline
CID 107351335
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
2-(cyclopropylmethoxy)-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107353100
2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]cyclohexan-1-ol
CID 107353144
2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107352881
2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115679005
N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-6-nitroaniline
CID 107351297
N-methyl-3-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 63711795
3-[[methyl(oxan-3-ylmethyl)amino]methyl]naphthalen-2-amine
CID 63706552
N-ethyl-2-[(2-hydrazinyl-3-nitrophenyl)methyl-methylamino]acetamide
CID 107352926
1-(2-hydrazinyl-3-nitrophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 107353044

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine (CID 107353064) is N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine is CN(Cc1cccc([N+](=O)[O-])c1NN)CC1CCCOC1.
What is the InChIKey of N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is FBTPMZZXCVSSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17(8-11-4-3-7-21-10-11)9-12-5-2-6-13(18(19)20)14(12)16-15/h2,5-6,11,16H,3-4,7-10,15H2,1H3.
What are the key properties of N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine?
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 294.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 107353064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).