[[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol

C13H27NO — CID 142399366

IUPAC[[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol
SMILESCCC(C)CCC/C=C/C(C)(C)NCO
InChIInChI=1S/C13H27NO/c1-5-12(2)9-7-6-8-10-13(3,4)14-11-15/h8,10,12,14-15H,5-7,9,11H2,1-4H3/b10-8+
InChIKeyGYVQVIDLWMJUBT-CSKARUKUSA-N
MW213.36 g/mol
LogP3.08
Rot. Bonds8

About [[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol

[[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol (PubChem CID 142399366) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is [[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol.

Molecular Properties

Compound Name[[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol
PubChem CID142399366
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name[[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol
SMILESCCC(C)CCC/C=C/C(C)(C)NCO
InChIInChI=1S/C13H27NO/c1-5-12(2)9-7-6-8-10-13(3,4)14-11-15/h8,10,12,14-15H,5-7,9,11H2,1-4H3/b10-8+
InChIKeyGYVQVIDLWMJUBT-CSKARUKUSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.08
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'}

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Related Compounds

[(4-Butylcyclohexa-1,5-dien-1-yl)amino]methanol
CID 148871034
[[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol
CID 142399327
[[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol
CID 142399490
[[(E)-2,8,8-trimethyldec-5-en-2-yl]amino]methanol
CID 142399777
[[1-[(E)-6,6-dimethylhept-1-enyl]cyclopropyl]amino]methanol
CID 142399892

Frequently Asked Questions

What is the IUPAC name of [[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol?
The IUPAC name of [[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol (CID 142399366) is [[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol.
What is the SMILES notation for [[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol?
The canonical SMILES for [[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol is CCC(C)CCC/C=C/C(C)(C)NCO.
What is the InChIKey of [[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol?
The InChIKey is GYVQVIDLWMJUBT-CSKARUKUSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-12(2)9-7-6-8-10-13(3,4)14-11-15/h8,10,12,14-15H,5-7,9,11H2,1-4H3/b10-8+.
What are the key properties of [[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol?
[[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol has a molecular weight of 213.36 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol is sourced from PubChem (CID 142399366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).