1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol

C14H27NO2 — CID 123315645

IUPAC1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol
SMILESC=CCC(C)C(C=CC)NC(C)C(O)COC
InChIInChI=1S/C14H27NO2/c1-6-8-11(3)13(9-7-2)15-12(4)14(16)10-17-5/h6-7,9,11-16H,1,8,10H2,2-5H3
InChIKeyWBUPBIJTMOJJIU-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.13
Rot. Bonds9

About 1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol

1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol (PubChem CID 123315645) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol
PubChem CID123315645
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol
SMILESC=CCC(C)C(C=CC)NC(C)C(O)COC
InChIInChI=1S/C14H27NO2/c1-6-8-11(3)13(9-7-2)15-12(4)14(16)10-17-5/h6-7,9,11-16H,1,8,10H2,2-5H3
InChIKeyWBUPBIJTMOJJIU-UHFFFAOYSA-N
XLogP2.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.13
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

(E,2S,3S)-3-(propan-2-ylamino)hex-4-ene-1,2-diol
CID 59083590
3-[(6-Ethyl-6-methylcyclohexa-2,4-dien-1-yl)amino]propane-1,2-diol
CID 70565123
1-[(1-Hydroxy-3-methylbutan-2-yl)amino]-2-methylhept-5-en-3-ol
CID 91382475
1-(1,2,3,6-Tetrahydropyridin-6-yl)butane-1,2-diol
CID 123327446
5-(2-Hydroxyethylamino)-2-methylcyclohex-3-en-1-ol
CID 123971103
4-[(5,6-Dimethylcyclohexa-2,4-dien-1-yl)amino]oxan-3-ol
CID 139296694
Ethane;1-methoxy-3-(propan-2-ylamino)propan-2-ol;6-methylidene-7-prop-2-enylcyclohepta-1,4-diene
CID 142450342
1-(Pent-3-en-2-ylamino)butane-2,3-diol
CID 156150212
(Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol
CID 163470269
2-[2-(Ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol
CID 163973585
1-(Hex-4-en-3-ylamino)-3-methylbutan-2-ol
CID 169603278
1-(Tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol
CID 3067065

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol?
The IUPAC name of 1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol (CID 123315645) is 1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol.
What is the SMILES notation for 1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol?
The canonical SMILES for 1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol is C=CCC(C)C(C=CC)NC(C)C(O)COC.
What is the InChIKey of 1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol?
The InChIKey is WBUPBIJTMOJJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-6-8-11(3)13(9-7-2)15-12(4)14(16)10-17-5/h6-7,9,11-16H,1,8,10H2,2-5H3.
What are the key properties of 1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol?
1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol is sourced from PubChem (CID 123315645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).