(E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol

C14H29NO — CID 144696116

IUPAC(E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol
SMILESCCCCCCC/C=C(\C)CC[C@H](O)NC
InChIInChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-13(2)11-12-14(16)15-3/h10,14-16H,4-9,11-12H2,1-3H3/b13-10+/t14-/m0/s1
InChIKeyZSMSWPLYJSKMET-UELRPHRMSA-N
MW227.39 g/mol
LogP3.61
Rot. Bonds10

About (E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol

(E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol (PubChem CID 144696116) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol.

Molecular Properties

Compound Name(E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol
PubChem CID144696116
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol
SMILESCCCCCCC/C=C(\C)CC[C@H](O)NC
InChIInChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-13(2)11-12-14(16)15-3/h10,14-16H,4-9,11-12H2,1-3H3/b13-10+/t14-/m0/s1
InChIKeyZSMSWPLYJSKMET-UELRPHRMSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol 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

1-(Cyclohexen-1-ylmethylamino)ethanol
CID 23342177
3-(2,3,6,7-tetrahydro-1H-azepin-4-yl)propan-1-ol
CID 67951249
7-(2,3,6,7-tetrahydro-1H-azepin-4-yl)heptan-1-ol
CID 67951253
5-amino-1-[[(E)-1-(cyclohexen-1-yl)pent-3-enyl]amino]pentan-1-ol
CID 70892615
(12Z)-1-azacyclononadec-12-en-2-ol
CID 70954921
1-[[(Z)-octadec-9-enyl]amino]propan-1-ol
CID 87358149
1-[[(Z)-5-ethenylnon-7-enyl]amino]pentan-1-ol
CID 89073834
(Z,1S)-1-(butylamino)oct-5-en-1-ol
CID 89354551
(5E)-1-amino-6,10-dimethylundeca-5,9-dien-1-ol
CID 117940818
10-(Methylamino)dec-5-en-1-ol
CID 123313573
(1R)-4-(cyclohexen-1-yl)-1-(methylamino)butan-1-ol
CID 124143094
(4E,8E)-5,9,13-trimethyl-1-(methylamino)tetradeca-4,8,12-trien-1-ol
CID 126612692

Frequently Asked Questions

What is the IUPAC name of (E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol?
The IUPAC name of (E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol (CID 144696116) is (E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol.
What is the SMILES notation for (E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol?
The canonical SMILES for (E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol is CCCCCCC/C=C(\C)CC[C@H](O)NC.
What is the InChIKey of (E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol?
The InChIKey is ZSMSWPLYJSKMET-UELRPHRMSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-13(2)11-12-14(16)15-3/h10,14-16H,4-9,11-12H2,1-3H3/b13-10+/t14-/m0/s1.
What are the key properties of (E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol?
(E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-4-methyl-1-(methylamino)dodec-4-en-1-ol is sourced from PubChem (CID 144696116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).