2-methoxyhex-1-en-3-amine

C7H15NO — CID 142372892

IUPAC2-methoxyhex-1-en-3-amine
SMILESC=C(OC)C(N)CCC
InChIInChI=1S/C7H15NO/c1-4-5-7(8)6(2)9-3/h7H,2,4-5,8H2,1,3H3
InChIKeyDXCQAPAZQQSHAC-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.27
Rot. Bonds4

About 2-methoxyhex-1-en-3-amine

2-methoxyhex-1-en-3-amine (PubChem CID 142372892) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methoxyhex-1-en-3-amine.

Molecular Properties

Compound Name2-methoxyhex-1-en-3-amine
PubChem CID142372892
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methoxyhex-1-en-3-amine
SMILESC=C(OC)C(N)CCC
InChIInChI=1S/C7H15NO/c1-4-5-7(8)6(2)9-3/h7H,2,4-5,8H2,1,3H3
InChIKeyDXCQAPAZQQSHAC-UHFFFAOYSA-N
XLogP1.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-Methoxyhex-5-en-2-amine
CID 55284264
(2S)-1-methoxyhex-5-en-2-amine
CID 55284414
1-Methoxy-4-methylpent-4-en-2-amine
CID 79179787
2-(3-Aminohex-1-en-2-yloxy)hex-1-en-3-amine
CID 88168410
(2R)-3-methoxybut-3-en-2-amine
CID 89035486
2-Methylideneoxan-3-amine
CID 89104280
(1R)-2-methoxycyclopent-2-en-1-amine
CID 117825755
(3R)-2-methoxy-4-methylpent-1-en-3-amine
CID 118521566
(2S)-3-methoxybut-3-en-2-amine
CID 124185014
2-Methoxy-5-methylhex-1-en-3-amine
CID 143142421
2-Methoxy-4-methylpent-1-en-3-amine
CID 143633727
2-Methoxy-5-methylidenehepta-1,6-dien-3-amine
CID 156745575

Frequently Asked Questions

What is the IUPAC name of 2-methoxyhex-1-en-3-amine?
The IUPAC name of 2-methoxyhex-1-en-3-amine (CID 142372892) is 2-methoxyhex-1-en-3-amine.
What is the SMILES notation for 2-methoxyhex-1-en-3-amine?
The canonical SMILES for 2-methoxyhex-1-en-3-amine is C=C(OC)C(N)CCC.
What is the InChIKey of 2-methoxyhex-1-en-3-amine?
The InChIKey is DXCQAPAZQQSHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-7(8)6(2)9-3/h7H,2,4-5,8H2,1,3H3.
What are the key properties of 2-methoxyhex-1-en-3-amine?
2-methoxyhex-1-en-3-amine has a molecular weight of 129.20 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyhex-1-en-3-amine is sourced from PubChem (CID 142372892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).