2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol

C13H25NO — CID 170893201

IUPAC2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol
SMILESCC1=C(CCC(N)CO)C(C)(C)CCC1
InChIInChI=1S/C13H25NO/c1-10-5-4-8-13(2,3)12(10)7-6-11(14)9-15/h11,15H,4-9,14H2,1-3H3
InChIKeyAIURMVFPJWWFRS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.61
Rot. Bonds4

About 2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol

2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol (PubChem CID 170893201) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol
PubChem CID170893201
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol
SMILESCC1=C(CCC(N)CO)C(C)(C)CCC1
InChIInChI=1S/C13H25NO/c1-10-5-4-8-13(2,3)12(10)7-6-11(14)9-15/h11,15H,4-9,14H2,1-3H3
InChIKeyAIURMVFPJWWFRS-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-(4-amino-2-methylcyclohexen-1-yl)butan-2-ol
CID 68026453
(2R,3R)-2-amino-3-(4-tert-butylcyclohexen-1-yl)butan-1-ol
CID 71002952
2-Amino-3-(4-tert-butylcyclohexen-1-yl)butan-1-ol
CID 77978667
6-Amino-2-tert-butyl-4-propylcyclohexen-1-ol
CID 139574162
2-Amino-3-(2-ethylcyclohexen-1-yl)propan-1-ol
CID 144469293
2-Amino-3-(4-tert-butylcyclohexen-1-yl)propan-1-ol
CID 144469298
2-Amino-3-(2-tetradecylcyclohexen-1-yl)propan-1-ol
CID 144469301
6-Amino-2-tert-butyl-4-(3-hydroxybutyl)cyclohexen-1-ol
CID 146857111
4-(3-Aminocyclohexen-1-yl)-3-methylbutan-1-ol
CID 147331080
3-(15-Methoxypentadecyl)-2,4,4-trimethylcyclohex-2-en-1-amine
CID 162724301
(E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol
CID 163944134
2-(Aminomethyl)-2-(cyclohexen-1-yl)butan-1-ol
CID 13460671

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol?
The IUPAC name of 2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol (CID 170893201) is 2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol?
The canonical SMILES for 2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol is CC1=C(CCC(N)CO)C(C)(C)CCC1.
What is the InChIKey of 2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol?
The InChIKey is AIURMVFPJWWFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-5-4-8-13(2,3)12(10)7-6-11(14)9-15/h11,15H,4-9,14H2,1-3H3.
What are the key properties of 2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol?
2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,6,6-trimethylcyclohexen-1-yl)butan-1-ol is sourced from PubChem (CID 170893201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).