3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol

C12H25NO2 — CID 115722621

IUPAC3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol
SMILESC=CCCC(CC)NC(CCO)COC
InChIInChI=1S/C12H25NO2/c1-4-6-7-11(5-2)13-12(8-9-14)10-15-3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyCDZJEIRISXKQFP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.72
Rot. Bonds10

About 3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol

3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol (PubChem CID 115722621) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol
PubChem CID115722621
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol
SMILESC=CCCC(CC)NC(CCO)COC
InChIInChI=1S/C12H25NO2/c1-4-6-7-11(5-2)13-12(8-9-14)10-15-3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyCDZJEIRISXKQFP-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol
CID 115722644
3-(heptan-3-ylamino)-4-methoxybutan-1-ol
CID 115722634
3-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582668
N-(1-methoxypentan-2-yl)hex-5-en-2-amine
CID 104655717
methyl N-hept-6-en-3-ylcarbamate
CID 176564834
3-(1-methoxybutan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 104925958
3-(1-methoxyhexan-2-ylamino)-4-methylsulfanylbutan-1-ol
CID 115723206
4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol
CID 115722598
3-(2-ethylbutylamino)-4-methoxybutan-1-ol
CID 115756936
1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115721276
N-(2-but-3-enoxyethyl)-1-methoxybutan-2-amine
CID 103905015
3-(but-3-yn-2-ylamino)-4-methoxybutan-1-ol
CID 106159690

Frequently Asked Questions

What is the IUPAC name of 3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol?
The IUPAC name of 3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol (CID 115722621) is 3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol.
What is the SMILES notation for 3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol?
The canonical SMILES for 3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol is C=CCCC(CC)NC(CCO)COC.
What is the InChIKey of 3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol?
The InChIKey is CDZJEIRISXKQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-6-7-11(5-2)13-12(8-9-14)10-15-3/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of 3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol?
3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol is sourced from PubChem (CID 115722621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).