1-methoxyhex-5-en-3-amine

C7H15NO — CID 61412819

IUPAC1-methoxyhex-5-en-3-amine
SMILESC=CCC(N)CCOC
InChIInChI=1S/C7H15NO/c1-3-4-7(8)5-6-9-2/h3,7H,1,4-6,8H2,2H3
InChIKeyDSKZEYUMULHHSU-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds5

About 1-methoxyhex-5-en-3-amine

1-methoxyhex-5-en-3-amine (PubChem CID 61412819) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-methoxyhex-5-en-3-amine.

Molecular Properties

Compound Name1-methoxyhex-5-en-3-amine
PubChem CID61412819
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-methoxyhex-5-en-3-amine
SMILESC=CCC(N)CCOC
InChIInChI=1S/C7H15NO/c1-3-4-7(8)5-6-9-2/h3,7H,1,4-6,8H2,2H3
InChIKeyDSKZEYUMULHHSU-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methoxyhex-5-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 55284264
CID 55284264
CID 55284414
CID 55284414
CID 61552883
CID 61552883
CID 79177715
CID 79177715
CID 87279889
CID 87279889
CID 94241337
CID 94241337
CID 118366657
CID 118366657
CID 129147502
CID 129147502
CID 137495270
CID 137495270
CID 146223929
CID 146223929
CID 61412350
CID 61412350
CID 64297002
CID 64297002

Frequently Asked Questions

What is the IUPAC name of 1-methoxyhex-5-en-3-amine?
The IUPAC name of 1-methoxyhex-5-en-3-amine (CID 61412819) is 1-methoxyhex-5-en-3-amine.
What is the SMILES notation for 1-methoxyhex-5-en-3-amine?
The canonical SMILES for 1-methoxyhex-5-en-3-amine is C=CCC(N)CCOC.
What is the InChIKey of 1-methoxyhex-5-en-3-amine?
The InChIKey is DSKZEYUMULHHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-7(8)5-6-9-2/h3,7H,1,4-6,8H2,2H3.
What are the key properties of 1-methoxyhex-5-en-3-amine?
1-methoxyhex-5-en-3-amine has a molecular weight of 129.20 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyhex-5-en-3-amine is sourced from PubChem (CID 61412819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).