2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol

C15H31NO — CID 112682236

IUPAC2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
SMILESCC(C)(CO)CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H31NO/c1-13(2)7-12(8-14(3,4)9-13)16-10-15(5,6)11-17/h12,16-17H,7-11H2,1-6H3
InChIKeyIJQOOKYUSSQLHW-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds4

About 2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol

2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol (PubChem CID 112682236) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
PubChem CID112682236
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
SMILESCC(C)(CO)CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H31NO/c1-13(2)7-12(8-14(3,4)9-13)16-10-15(5,6)11-17/h12,16-17H,7-11H2,1-6H3
InChIKeyIJQOOKYUSSQLHW-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol with MolForge

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Related Compounds

4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol
CID 106144327
2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817814
3-[(4-ethylcyclohexyl)amino]-2,2-dimethylpropan-1-ol
CID 81412355
3-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2,2-dimethylpropan-1-ol
CID 115359952
N'-(3,3-dimethylcyclopentyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 80692444
1,1-difluoro-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-2-ol
CID 103991359
5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol
CID 106144566
3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 112681935
3,3,5,5-tetramethyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 103966203
N-(2-ethylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965730
2,2-dimethyl-3-[(3-propan-2-ylcyclohexyl)amino]propan-1-ol
CID 107448688
N-(2,2-dimethylpropyl)-3,3-dimethylcyclohexan-1-amine;ethane
CID 143483556

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol (CID 112682236) is 2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol is CC(C)(CO)CNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol?
The InChIKey is IJQOOKYUSSQLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2)7-12(8-14(3,4)9-13)16-10-15(5,6)11-17/h12,16-17H,7-11H2,1-6H3.
What are the key properties of 2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol?
2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol is sourced from PubChem (CID 112682236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).