2-amino-3,6,7-trimethyloct-7-en-4-ol

C11H23NO — CID 123474935

IUPAC2-amino-3,6,7-trimethyloct-7-en-4-ol
SMILESC=C(C)C(C)CC(O)C(C)C(C)N
InChIInChI=1S/C11H23NO/c1-7(2)8(3)6-11(13)9(4)10(5)12/h8-11,13H,1,6,12H2,2-5H3
InChIKeyYGQMBYMKXOLKOV-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds5

About 2-amino-3,6,7-trimethyloct-7-en-4-ol

2-amino-3,6,7-trimethyloct-7-en-4-ol (PubChem CID 123474935) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-amino-3,6,7-trimethyloct-7-en-4-ol.

Molecular Properties

Compound Name2-amino-3,6,7-trimethyloct-7-en-4-ol
PubChem CID123474935
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-amino-3,6,7-trimethyloct-7-en-4-ol
SMILESC=C(C)C(C)CC(O)C(C)C(C)N
InChIInChI=1S/C11H23NO/c1-7(2)8(3)6-11(13)9(4)10(5)12/h8-11,13H,1,6,12H2,2-5H3
InChIKeyYGQMBYMKXOLKOV-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-amino-3,6,7-trimethyloct-7-en-4-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

(4R,5R,E)-1-amino-4-ethyl-8-methyldec-8-en-5-ol
CID 163319732
5-Amino-7-methyloct-1-en-4-ol
CID 13949650
(4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol
CID 56990900
(2S,3S,5R)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
CID 70041382
(2S,3S,5S)-2-amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
CID 70041702
2-Amino-1-cyclohexyl-5-ethylhept-6-en-3-ol
CID 70041706
(4S)-4-amino-2-ethyl-5-methylhex-5-en-1-ol
CID 124112396
11-Amino-2-ethyl-12-methyl-4,5,8-trimethylidenetridec-12-en-1-ol
CID 137457153
(4R,6R)-6-(2-aminoethyl)-7-methyl-6-sulfanyloct-7-en-4-ol
CID 138548395
5-Amino-2,6-dimethylhept-6-en-3-ol;ethane
CID 141969511
(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol
CID 146552954
(1R,2R,3R)-2-amino-3-but-1-en-2-yl-3-methylcyclooctan-1-ol
CID 155150925

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6,7-trimethyloct-7-en-4-ol?
The IUPAC name of 2-amino-3,6,7-trimethyloct-7-en-4-ol (CID 123474935) is 2-amino-3,6,7-trimethyloct-7-en-4-ol.
What is the SMILES notation for 2-amino-3,6,7-trimethyloct-7-en-4-ol?
The canonical SMILES for 2-amino-3,6,7-trimethyloct-7-en-4-ol is C=C(C)C(C)CC(O)C(C)C(C)N.
What is the InChIKey of 2-amino-3,6,7-trimethyloct-7-en-4-ol?
The InChIKey is YGQMBYMKXOLKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-7(2)8(3)6-11(13)9(4)10(5)12/h8-11,13H,1,6,12H2,2-5H3.
What are the key properties of 2-amino-3,6,7-trimethyloct-7-en-4-ol?
2-amino-3,6,7-trimethyloct-7-en-4-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6,7-trimethyloct-7-en-4-ol is sourced from PubChem (CID 123474935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).