4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol

C17H35NO — CID 106348971

IUPAC4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
SMILESCC1CCC(C(C)C)C(NC(CCO)C(C)(C)C)C1
InChIInChI=1S/C17H35NO/c1-12(2)14-8-7-13(3)11-15(14)18-16(9-10-19)17(4,5)6/h12-16,18-19H,7-11H2,1-6H3
InChIKeyBMZHSOVKRZMYBZ-UHFFFAOYSA-N
MW269.47 g/mol
LogP3.83
Rot. Bonds5

About 4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol

4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol (PubChem CID 106348971) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
PubChem CID106348971
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
SMILESCC1CCC(C(C)C)C(NC(CCO)C(C)(C)C)C1
InChIInChI=1S/C17H35NO/c1-12(2)14-8-7-13(3)11-15(14)18-16(9-10-19)17(4,5)6/h12-16,18-19H,7-11H2,1-6H3
InChIKeyBMZHSOVKRZMYBZ-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol with MolForge

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Related Compounds

3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
CID 115723128
N-heptan-3-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 63944923
6-[(5-methyl-2-propan-2-ylcyclohexyl)amino]hexan-1-ol
CID 103922216
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide
CID 113250248
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid
CID 62934575
4,4-dimethyl-3-(8-tricyclo[5.2.1.02,6]decanylamino)pentan-1-ol
CID 104926034
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 59847881
3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119750943
5-[1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]ethyl]benzene-1,3-diol
CID 107705663
3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol
CID 83176423
cis-(2R,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynylcyclohexan-1-amine
CID 130962040

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol (CID 106348971) is 4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol is CC1CCC(C(C)C)C(NC(CCO)C(C)(C)C)C1.
What is the InChIKey of 4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol?
The InChIKey is BMZHSOVKRZMYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-12(2)14-8-7-13(3)11-15(14)18-16(9-10-19)17(4,5)6/h12-16,18-19H,7-11H2,1-6H3.
What are the key properties of 4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol?
4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol has a molecular weight of 269.47 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol is sourced from PubChem (CID 106348971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).