(E)-2-nitrohex-1-en-1-amine

C6H12N2O2 — CID 163564663

IUPAC(E)-2-nitrohex-1-en-1-amine
SMILESCCCC/C(=C\N)[N+](=O)[O-]
InChIInChI=1S/C6H12N2O2/c1-2-3-4-6(5-7)8(9)10/h5H,2-4,7H2,1H3/b6-5+
InChIKeyFUEMAJNHKUTBGM-AATRIKPKSA-N
MW144.17 g/mol
LogP1.25
Rot. Bonds4

About (E)-2-nitrohex-1-en-1-amine

(E)-2-nitrohex-1-en-1-amine (PubChem CID 163564663) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (E)-2-nitrohex-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-nitrohex-1-en-1-amine
PubChem CID163564663
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(E)-2-nitrohex-1-en-1-amine
SMILESCCCC/C(=C\N)[N+](=O)[O-]
InChIInChI=1S/C6H12N2O2/c1-2-3-4-6(5-7)8(9)10/h5H,2-4,7H2,1H3/b6-5+
InChIKeyFUEMAJNHKUTBGM-AATRIKPKSA-N
XLogP1.25
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-nitrooct-1-en-1-ol
CID 88545511
6-nitroundec-5-ene
CID 543366
3-nitrohex-2-ene
CID 22447
(Z)-10-nitroicos-9-enal
CID 89267084
(9E,12E)-10,13-dinitrooctadeca-9,12-dienal
CID 173492327
(E)-10-nitrooctadec-9-enoate
CID 170987938
(E)-8-nitrooctadec-8-enoic acid
CID 132533017
10-nitrohexadec-9-enoic acid
CID 74955183
(E)-N-(2-methylpropyl)-2-nitrohept-1-en-1-amine
CID 134932360
8-nitropentadec-8-enoic acid
CID 123226831
(E)-7-nitrodec-7-en-1-ol
CID 6433081
(E)-4-nitrooct-4-ene
CID 6507983

Frequently Asked Questions

What is the IUPAC name of (E)-2-nitrohex-1-en-1-amine?
The IUPAC name of (E)-2-nitrohex-1-en-1-amine (CID 163564663) is (E)-2-nitrohex-1-en-1-amine.
What is the SMILES notation for (E)-2-nitrohex-1-en-1-amine?
The canonical SMILES for (E)-2-nitrohex-1-en-1-amine is CCCC/C(=C\N)[N+](=O)[O-].
What is the InChIKey of (E)-2-nitrohex-1-en-1-amine?
The InChIKey is FUEMAJNHKUTBGM-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-3-4-6(5-7)8(9)10/h5H,2-4,7H2,1H3/b6-5+.
What are the key properties of (E)-2-nitrohex-1-en-1-amine?
(E)-2-nitrohex-1-en-1-amine has a molecular weight of 144.17 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-nitrohex-1-en-1-amine is sourced from PubChem (CID 163564663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).