1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol

C12H25NO2 — CID 115721276

IUPAC1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol
SMILESC=CCCC(CCC)NCC(O)COC
InChIInChI=1S/C12H25NO2/c1-4-6-8-11(7-5-2)13-9-12(14)10-15-3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyLAYXBNPXEZYKEM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.72
Rot. Bonds10

About 1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol

1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol (PubChem CID 115721276) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol
PubChem CID115721276
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol
SMILESC=CCCC(CCC)NCC(O)COC
InChIInChI=1S/C12H25NO2/c1-4-6-8-11(7-5-2)13-9-12(14)10-15-3/h4,11-14H,1,5-10H2,2-3H3
InChIKeyLAYXBNPXEZYKEM-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

1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115718086
4-methoxy-3-(oct-7-en-4-ylamino)butan-1-ol
CID 115722644
3-(1-methoxypentan-2-ylamino)propane-1,2-diol
CID 77035883
1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989797
N-(1-methoxypentan-2-yl)hex-5-en-2-amine
CID 104655717
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol
CID 115719382
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
3-(hept-6-en-3-ylamino)-4-methoxybutan-1-ol
CID 115722621
1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol
CID 103391070
1-methoxydec-9-ene-3,6-diol
CID 91577196
4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol
CID 115897166

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol?
The IUPAC name of 1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol (CID 115721276) is 1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol is C=CCCC(CCC)NCC(O)COC.
What is the InChIKey of 1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol?
The InChIKey is LAYXBNPXEZYKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-6-8-11(7-5-2)13-9-12(14)10-15-3/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of 1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol?
1-methoxy-3-(oct-7-en-4-ylamino)propan-2-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 1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol is sourced from PubChem (CID 115721276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).