[[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol

C14H29NO — CID 142399777

IUPAC[[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol
SMILESCCC(C)(C)C/C=C/CCC(C)(C)NCO
InChIInChI=1S/C14H29NO/c1-6-13(2,3)10-8-7-9-11-14(4,5)15-12-16/h7-8,15-16H,6,9-12H2,1-5H3/b8-7+
InChIKeyOLGKSBRXUXXHRQ-BQYQJAHWSA-N
MW227.39 g/mol
LogP3.47
Rot. Bonds8

About [[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol

[[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol (PubChem CID 142399777) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is [[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol.

Molecular Properties

Compound Name[[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol
PubChem CID142399777
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name[[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol
SMILESCCC(C)(C)C/C=C/CCC(C)(C)NCO
InChIInChI=1S/C14H29NO/c1-6-13(2,3)10-8-7-9-11-14(4,5)15-12-16/h7-8,15-16H,6,9-12H2,1-5H3/b8-7+
InChIKeyOLGKSBRXUXXHRQ-BQYQJAHWSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[(Z)-2-methyl-2-prop-2-enylpent-3-enyl]amino]methanol
CID 139468413
(4-Methylhepta-1,6-dien-4-ylamino)methanol
CID 139767706
2-Ethyl-2-methyl-1-(3-methylpentan-3-ylamino)hex-3-en-1-ol
CID 146521804
[(3-Ethyl-3-methylhex-4-enyl)amino]methanol
CID 167210620
[[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol
CID 142399327
[[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol
CID 142399366
[[1-[(E)-6,6-dimethylhept-1-enyl]cyclopropyl]amino]methanol
CID 142399892
[[(E)-3-ethyl-2,2-dimethylhept-4-enyl]amino]methanol
CID 143919080

Frequently Asked Questions

What is the IUPAC name of [[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol?
The IUPAC name of [[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol (CID 142399777) is [[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol.
What is the SMILES notation for [[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol?
The canonical SMILES for [[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol is CCC(C)(C)C/C=C/CCC(C)(C)NCO.
What is the InChIKey of [[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol?
The InChIKey is OLGKSBRXUXXHRQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-13(2,3)10-8-7-9-11-14(4,5)15-12-16/h7-8,15-16H,6,9-12H2,1-5H3/b8-7+.
What are the key properties of [[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol?
[[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol has a molecular weight of 227.39 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol is sourced from PubChem (CID 142399777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).