4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol

C15H32N2O — CID 63700984

IUPAC4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
SMILESCN(C)CCN(C)C1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C15H32N2O/c1-15(2,3)12-7-8-14(18)13(11-12)17(6)10-9-16(4)5/h12-14,18H,7-11H2,1-6H3
InChIKeyVLLWSWWYHQVHOJ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.06
Rot. Bonds4

About 4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol

4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol (PubChem CID 63700984) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
PubChem CID63700984
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
SMILESCN(C)CCN(C)C1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C15H32N2O/c1-15(2,3)12-7-8-14(18)13(11-12)17(6)10-9-16(4)5/h12-14,18H,7-11H2,1-6H3
InChIKeyVLLWSWWYHQVHOJ-UHFFFAOYSA-N
XLogP2.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 165498706
4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol
CID 63236736
N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine
CID 155421326
4-tert-butyl-2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carbonitrile
CID 63693484
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
4-tert-butyl-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
CID 63472296
3-[2-(dimethylamino)ethyl-methylamino]oxan-4-ol
CID 63699605
2-[(2-amino-5-tert-butylcyclohexyl)methyl-methylamino]cyclohexan-1-ol
CID 102637096
4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]cyclohexan-1-ol
CID 63712484
trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol
CID 130452306
N'-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N,N,N'-trimethylethane-1,2-diamine
CID 1378401
4-tert-butyl-1-N,2-N-dimethyl-2-N-pentylcyclohexane-1,2-diamine
CID 63467911

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol (CID 63700984) is 4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol is CN(C)CCN(C)C1CC(C(C)(C)C)CCC1O.
What is the InChIKey of 4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol?
The InChIKey is VLLWSWWYHQVHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-15(2,3)12-7-8-14(18)13(11-12)17(6)10-9-16(4)5/h12-14,18H,7-11H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol?
4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 63700984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).