4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol

C17H35NO — CID 106144327

IUPAC4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol
SMILESCC(C)(CCCO)CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H35NO/c1-15(2,8-7-9-19)13-18-14-10-16(3,4)12-17(5,6)11-14/h14,18-19H,7-13H2,1-6H3
InChIKeyBFIFJYVXEYGOTR-UHFFFAOYSA-N
MW269.47 g/mol
LogP3.98
Rot. Bonds6

About 4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol

4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol (PubChem CID 106144327) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol
PubChem CID106144327
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol
SMILESCC(C)(CCCO)CNC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H35NO/c1-15(2,8-7-9-19)13-18-14-10-16(3,4)12-17(5,6)11-14/h14,18-19H,7-13H2,1-6H3
InChIKeyBFIFJYVXEYGOTR-UHFFFAOYSA-N
XLogP3.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propan-1-ol
CID 112682236
5-[(5,5-dimethylthian-3-yl)amino]-4,4-dimethylpentan-1-ol
CID 106144566
4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol
CID 135393428
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol
CID 106147150
5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
CID 106144752
4-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxamide
CID 103898924
4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 102609773
4,4-dimethyl-5-(spiro[3.5]nonan-3-ylamino)pentan-1-ol
CID 106147029
2-[(5-hydroxy-2,2-dimethylpentyl)amino]cyclohexan-1-ol
CID 106147285
6-[(3,3-dimethylcyclopentyl)amino]hexan-1-ol
CID 104537039
5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
CID 113368941
(4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate
CID 163270059

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol (CID 106144327) is 4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol is CC(C)(CCCO)CNC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol?
The InChIKey is BFIFJYVXEYGOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-15(2,8-7-9-19)13-18-14-10-16(3,4)12-17(5,6)11-14/h14,18-19H,7-13H2,1-6H3.
What are the key properties of 4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol?
4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[(3,3,5,5-tetramethylcyclohexyl)amino]pentan-1-ol is sourced from PubChem (CID 106144327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).