3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol

C12H25NO — CID 130964585

IUPAC3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol
SMILESCC(C)(CN)C(O)C1(C)CCCCC1
InChIInChI=1S/C12H25NO/c1-11(2,9-13)10(14)12(3)7-5-4-6-8-12/h10,14H,4-9,13H2,1-3H3
InChIKeyQIWJCARQLCNQQQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.30
Rot. Bonds3

About 3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol

3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol (PubChem CID 130964585) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol
PubChem CID130964585
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol
SMILESCC(C)(CN)C(O)C1(C)CCCCC1
InChIInChI=1S/C12H25NO/c1-11(2,9-13)10(14)12(3)7-5-4-6-8-12/h10,14H,4-9,13H2,1-3H3
InChIKeyQIWJCARQLCNQQQ-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2-dimethyl-1-(1-propylcyclopropyl)propan-1-ol
CID 165445378
1-amino-2-(1-methylcyclohexyl)propan-2-ol
CID 139026363
[1-(aminomethyl)cyclopropyl]-(1-methylcyclobutyl)methanol
CID 165445368
1-(1-methylcyclohexyl)-2-propan-2-yloxyethanol
CID 106830958
1-[1-(aminomethyl)cycloheptyl]-2-methylpropan-1-ol
CID 79138126
(1S)-1-(1-methylcyclohexyl)ethanamine
CID 130639601
cyclohexane-1,1-diamine;2,2-dimethylpropane-1,3-diamine
CID 70518609
5-amino-3,4,4-trimethylpentan-2-ol
CID 130514641
2-cyclohexyl-1-(1-methylcyclopentyl)ethanol
CID 115786279
N-(1-amino-2-methylpropan-2-yl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106829154
2-(1-methylcyclohexyl)ethane-1,1-diol
CID 59872782
1-(1-methylcyclopentyl)propan-1-amine
CID 114979259

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol?
The IUPAC name of 3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol (CID 130964585) is 3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol is CC(C)(CN)C(O)C1(C)CCCCC1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol?
The InChIKey is QIWJCARQLCNQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2,9-13)10(14)12(3)7-5-4-6-8-12/h10,14H,4-9,13H2,1-3H3.
What are the key properties of 3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol?
3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-(1-methylcyclohexyl)propan-1-ol is sourced from PubChem (CID 130964585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).