4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol

C17H33NO — CID 63622112

IUPAC4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol
SMILESCC1CCCN(C2CC(C(C)(C)C)CCC2O)CC1
InChIInChI=1S/C17H33NO/c1-13-6-5-10-18(11-9-13)15-12-14(17(2,3)4)7-8-16(15)19/h13-16,19H,5-12H2,1-4H3
InChIKeyBPHQTSSOQQVWLK-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.68
Rot. Bonds1

About 4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol

4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol (PubChem CID 63622112) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol
PubChem CID63622112
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol
SMILESCC1CCCN(C2CC(C(C)(C)C)CCC2O)CC1
InChIInChI=1S/C17H33NO/c1-13-6-5-10-18(11-9-13)15-12-14(17(2,3)4)7-8-16(15)19/h13-16,19H,5-12H2,1-4H3
InChIKeyBPHQTSSOQQVWLK-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylazepan-1-yl)cyclopentan-1-ol
CID 63622455
2-(4-methylpiperidin-1-yl)cyclopentan-1-ol
CID 60712204
2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol
CID 63470965
4-(2-methylbutan-2-yl)-2-(4-propylpiperidin-1-yl)cyclohexan-1-ol
CID 63472120
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
1-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3-methylpiperidin-4-ol
CID 114678018
(4-tert-butyl-2-piperidin-1-ylcyclohexyl)methanamine
CID 43293404
2-[3-(methoxymethyl)piperidin-1-yl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 106588489
trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol
CID 130452306
4-tert-butyl-2-(3-hydroxypiperidin-1-yl)cyclohexane-1-carbonitrile
CID 61434648
4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 55094860
4-(2-methylbutan-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)cyclohexan-1-ol
CID 62974563

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol (CID 63622112) is 4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol is CC1CCCN(C2CC(C(C)(C)C)CCC2O)CC1.
What is the InChIKey of 4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol?
The InChIKey is BPHQTSSOQQVWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13-6-5-10-18(11-9-13)15-12-14(17(2,3)4)7-8-16(15)19/h13-16,19H,5-12H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol?
4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 63622112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).