N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide

C14H24N4O3 — CID 143394748

IUPACN-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide
SMILESCC(=O)NNc1ccc([N+](=O)[O-])cc1.CCCCCNC
InChIInChI=1S/C8H9N3O3.C6H15N/c1-6(12)9-10-7-2-4-8(5-3-7)11(13)14;1-3-4-5-6-7-2/h2-5,10H,1H3,(H,9,12);7H,3-6H2,1-2H3
InChIKeyIBYNSAXXPJAFAV-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.45
Rot. Bonds7

About N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide

N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide (PubChem CID 143394748) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide.

Molecular Properties

Compound NameN-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide
PubChem CID143394748
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide
SMILESCC(=O)NNc1ccc([N+](=O)[O-])cc1.CCCCCNC
InChIInChI=1S/C8H9N3O3.C6H15N/c1-6(12)9-10-7-2-4-8(5-3-7)11(13)14;1-3-4-5-6-7-2/h2-5,10H,1H3,(H,9,12);7H,3-6H2,1-2H3
InChIKeyIBYNSAXXPJAFAV-UHFFFAOYSA-N
XLogP2.45
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'-hexadecyl-N-(4-nitroanilino)ethanimidamide
CID 3098812
1-[3-(methylamino)propyl]-3-(4-nitrophenyl)urea
CID 43602363
N'-(4-nitrophenyl)-N-pentylethane-1,2-diamine
CID 57007665
N-(4-nitrophenyl)hexadecanamide
CID 14087849
N-(4-nitrophenyl)tridecanamide
CID 86103066
2-chloro-N-[(4-nitroanilino)carbamoyl]acetamide
CID 71375183
butyl N-(4-nitrophenyl)carbamate
CID 522878
N-[3-(4-nitroanilino)propyl]acetamide
CID 2885784
4-[(Z)-2-(4-nitrophenyl)ethenyl]-N-octadecylaniline
CID 51056058
2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetic acid
CID 117061946
N-hexadecyl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 23494443
2-(3,4-dimethylphenoxy)-N'-(4-nitrophenyl)acetohydrazide
CID 4682607

Frequently Asked Questions

What is the IUPAC name of N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide?
The IUPAC name of N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide (CID 143394748) is N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide.
What is the SMILES notation for N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide?
The canonical SMILES for N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide is CC(=O)NNc1ccc([N+](=O)[O-])cc1.CCCCCNC.
What is the InChIKey of N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide?
The InChIKey is IBYNSAXXPJAFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3.C6H15N/c1-6(12)9-10-7-2-4-8(5-3-7)11(13)14;1-3-4-5-6-7-2/h2-5,10H,1H3,(H,9,12);7H,3-6H2,1-2H3.
What are the key properties of N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide?
N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide has a molecular weight of 296.37 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpentan-1-amine;N'-(4-nitrophenyl)acetohydrazide is sourced from PubChem (CID 143394748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).