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

C12H25NO — CID 142399327

IUPAC[[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol
SMILESC[C@@H](/C=C/CCCC(C)(C)C)NCO
InChIInChI=1S/C12H25NO/c1-11(13-10-14)8-6-5-7-9-12(2,3)4/h6,8,11,13-14H,5,7,9-10H2,1-4H3/b8-6+/t11-/m0/s1
InChIKeyNXPDTUYJGPVJRV-IOCXFXADSA-N
MW199.34 g/mol
LogP2.69
Rot. Bonds6

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

[[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol (PubChem CID 142399327) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol.

Molecular Properties

Compound Name[[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol
PubChem CID142399327
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol
SMILESC[C@@H](/C=C/CCCC(C)(C)C)NCO
InChIInChI=1S/C12H25NO/c1-11(13-10-14)8-6-5-7-9-12(2,3)4/h6,8,11,13-14H,5,7,9-10H2,1-4H3/b8-6+/t11-/m0/s1
InChIKeyNXPDTUYJGPVJRV-IOCXFXADSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.69
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,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol 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

[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol
CID 89153849
(E)-7,7-dimethyloct-2-ene;methanol;molecular hydrogen;(2R)-N,3,3-trimethylbutan-2-amine
CID 142399653
[[(1R,5R)-5-methylcyclohex-3-en-1-yl]amino]methanol
CID 149373852
[[(E)-2,8-dimethyldec-3-en-2-yl]amino]methanol
CID 142399366
[[(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
[[(E)-5,5-dimethylhex-2-enyl]amino]methanol
CID 142399894

Frequently Asked Questions

What is the IUPAC name of [[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol?
The IUPAC name of [[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol (CID 142399327) is [[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol.
What is the SMILES notation for [[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol?
The canonical SMILES for [[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol is C[C@@H](/C=C/CCCC(C)(C)C)NCO.
What is the InChIKey of [[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol?
The InChIKey is NXPDTUYJGPVJRV-IOCXFXADSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(13-10-14)8-6-5-7-9-12(2,3)4/h6,8,11,13-14H,5,7,9-10H2,1-4H3/b8-6+/t11-/m0/s1.
What are the key properties of [[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol?
[[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E,2S)-8,8-dimethylnon-3-en-2-yl]amino]methanol is sourced from PubChem (CID 142399327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).