5-nitropentan-1-amine;hydrochloride

C5H13ClN2O2 — CID 134884267

IUPAC5-nitropentan-1-amine;hydrochloride
SMILESCl.NCCCCC[N+](=O)[O-]
InChIInChI=1S/C5H12N2O2.ClH/c6-4-2-1-3-5-7(8)9;/h1-6H2;1H
InChIKeyGESWCEJOYVCNDY-UHFFFAOYSA-N
MW168.62 g/mol
LogP0.81
Rot. Bonds5

About 5-nitropentan-1-amine;hydrochloride

5-nitropentan-1-amine;hydrochloride (PubChem CID 134884267) has the molecular formula C5H13ClN2O2 and a molecular weight of 168.62 g/mol. Its IUPAC name is 5-nitropentan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-nitropentan-1-amine;hydrochloride
PubChem CID134884267
Molecular FormulaC5H13ClN2O2
Molecular Weight168.62 g/mol
Exact Mass168.07
IUPAC Name5-nitropentan-1-amine;hydrochloride
SMILESCl.NCCCCC[N+](=O)[O-]
InChIInChI=1S/C5H12N2O2.ClH/c6-4-2-1-3-5-7(8)9;/h1-6H2;1H
InChIKeyGESWCEJOYVCNDY-UHFFFAOYSA-N
XLogP0.81
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-nitrobutylamine
CID 18931601
1-Amino-5-nitro-pentane
CID 18987841
Azahexyl nitrate
CID 129694621
N-chloro-N-nitrobutylamine
CID 129802769
N-(5-nitropentyl)hydroxylamine
CID 10057649
N-(6-nitrohexyl)hydroxylamine
CID 10441988
N-(4-nitrobutyl)hydroxylamine
CID 11819122
4-Nitrobutan-1-amine;hydrochloride
CID 18931600
6-Nitrohexan-1-amine
CID 19832595
1,1-Dinitropentane-1,5-diamine
CID 53934424
2-Nitropentan-1-amine
CID 55288886
N-(5-nitrosopentyl)hydroxylamine
CID 87416529

Frequently Asked Questions

What is the IUPAC name of 5-nitropentan-1-amine;hydrochloride?
The IUPAC name of 5-nitropentan-1-amine;hydrochloride (CID 134884267) is 5-nitropentan-1-amine;hydrochloride.
What is the SMILES notation for 5-nitropentan-1-amine;hydrochloride?
The canonical SMILES for 5-nitropentan-1-amine;hydrochloride is Cl.NCCCCC[N+](=O)[O-].
What is the InChIKey of 5-nitropentan-1-amine;hydrochloride?
The InChIKey is GESWCEJOYVCNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.ClH/c6-4-2-1-3-5-7(8)9;/h1-6H2;1H.
What are the key properties of 5-nitropentan-1-amine;hydrochloride?
5-nitropentan-1-amine;hydrochloride has a molecular weight of 168.62 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitropentan-1-amine;hydrochloride is sourced from PubChem (CID 134884267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).