N-(2-nitroethenyl)pentan-1-amine

C7H14N2O2 — CID 173120681

IUPACN-(2-nitroethenyl)pentan-1-amine
SMILESCCCCCNC=C[N+](=O)[O-]
InChIInChI=1S/C7H14N2O2/c1-2-3-4-5-8-6-7-9(10)11/h6-8H,2-5H2,1H3
InChIKeyFXWNSFMRVIZGGP-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.51
Rot. Bonds6

About N-(2-nitroethenyl)pentan-1-amine

N-(2-nitroethenyl)pentan-1-amine (PubChem CID 173120681) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-(2-nitroethenyl)pentan-1-amine.

Molecular Properties

Compound NameN-(2-nitroethenyl)pentan-1-amine
PubChem CID173120681
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-(2-nitroethenyl)pentan-1-amine
SMILESCCCCCNC=C[N+](=O)[O-]
InChIInChI=1S/C7H14N2O2/c1-2-3-4-5-8-6-7-9(10)11/h6-8H,2-5H2,1H3
InChIKeyFXWNSFMRVIZGGP-UHFFFAOYSA-N
XLogP1.51
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.51
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-[(E)-prop-1-enyl]dodecan-1-amine
CID 88674859
(E)-1-nitropentadec-1-ene
CID 14753110
(E)-1-nitroundec-1-ene
CID 139252684
ethane;N-pentylformamide
CID 145350301
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
3-(pentylamino)prop-2-enoic acid
CID 87260635
N-tridecylprop-1-ene-1,3-diamine
CID 173118910
N-tetradecylprop-1-ene-1,3-diamine
CID 173093162
N-ethenylpentan-1-amine
CID 87131661
N-(2-methylprop-1-enyl)dodecan-1-amine
CID 88695938
N-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride
CID 173417762

Frequently Asked Questions

What is the IUPAC name of N-(2-nitroethenyl)pentan-1-amine?
The IUPAC name of N-(2-nitroethenyl)pentan-1-amine (CID 173120681) is N-(2-nitroethenyl)pentan-1-amine.
What is the SMILES notation for N-(2-nitroethenyl)pentan-1-amine?
The canonical SMILES for N-(2-nitroethenyl)pentan-1-amine is CCCCCNC=C[N+](=O)[O-].
What is the InChIKey of N-(2-nitroethenyl)pentan-1-amine?
The InChIKey is FXWNSFMRVIZGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-3-4-5-8-6-7-9(10)11/h6-8H,2-5H2,1H3.
What are the key properties of N-(2-nitroethenyl)pentan-1-amine?
N-(2-nitroethenyl)pentan-1-amine has a molecular weight of 158.20 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitroethenyl)pentan-1-amine is sourced from PubChem (CID 173120681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).