N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

C14H25N5O2 — CID 80899786

IUPACN-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-11(2)18(3)10-5-4-9-16-12-7-6-8-13(17-15)14(12)19(20)21/h6-8,11,16-17H,4-5,9-10,15H2,1-3H3
InChIKeyGLFKXUIGDGZVOV-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.41
Rot. Bonds9

About N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine

N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (PubChem CID 80899786) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
PubChem CID80899786
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
SMILESCC(C)N(C)CCCCNc1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-11(2)18(3)10-5-4-9-16-12-7-6-8-13(17-15)14(12)19(20)21/h6-8,11,16-17H,4-5,9-10,15H2,1-3H3
InChIKeyGLFKXUIGDGZVOV-UHFFFAOYSA-N
XLogP2.41
TPSA96.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

1-N-methyl-3-N-[4-[methyl(propan-2-yl)amino]butyl]-2-nitrobenzene-1,3-diamine
CID 80796438
3-hydrazinyl-N-(5-methylhexyl)-2-nitroaniline
CID 115327795
3-hydrazinyl-N-(4-methylpentyl)-2-nitroaniline
CID 80914228
3-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80802709
5-(3-hydrazinyl-2-nitroanilino)pentan-2-ol
CID 106138710
3-hydrazinyl-N-(3-methylbutyl)-2-nitroaniline
CID 80931845
N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 80919667
3-hydrazinyl-2-nitro-N-(3-phenylpropyl)aniline
CID 80899703
2-(3-hydrazinyl-2-nitroanilino)-N-propan-2-ylacetamide
CID 80907483
3-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-nitrobenzene-1,3-diamine
CID 80778166
3-N-(3-hydrazinyl-2-nitrophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904449
N-(2-chloro-6-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62085327

Frequently Asked Questions

What is the IUPAC name of N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine (CID 80899786) is N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is CC(C)N(C)CCCCNc1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
The InChIKey is GLFKXUIGDGZVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-11(2)18(3)10-5-4-9-16-12-7-6-8-13(17-15)14(12)19(20)21/h6-8,11,16-17H,4-5,9-10,15H2,1-3H3.
What are the key properties of N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine?
N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine has a molecular weight of 295.39 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 80899786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).