1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol

C17H33NO — CID 65095040

IUPAC1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol
SMILESCC(C)(C)C1CCCC(O)(C2CCCCCN2)CC1
InChIInChI=1S/C17H33NO/c1-16(2,3)14-8-7-11-17(19,12-10-14)15-9-5-4-6-13-18-15/h14-15,18-19H,4-13H2,1-3H3
InChIKeyQOPQELFJLQBDTF-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.88
Rot. Bonds1

About 1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol

1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol (PubChem CID 65095040) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol
PubChem CID65095040
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol
SMILESCC(C)(C)C1CCCC(O)(C2CCCCCN2)CC1
InChIInChI=1S/C17H33NO/c1-16(2,3)14-8-7-11-17(19,12-10-14)15-9-5-4-6-13-18-15/h14-15,18-19H,4-13H2,1-3H3
InChIKeyQOPQELFJLQBDTF-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65090460
4-(azepan-2-yl)azepan-4-ol
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2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-ol
CID 83669929
1-tert-butyl-3-[(2S)-piperidin-2-yl]azetidin-3-ol
CID 59140145
4,4-dimethyl-1-pyrrolidin-2-ylcycloheptan-1-ol
CID 65086095
3-amino-1-piperidin-2-ylcyclopentan-1-ol
CID 80562855
4-piperidin-2-yl-1-propan-2-ylazepan-4-ol
CID 65077274
3-[(2R)-piperidin-2-yl]azetidin-3-ol
CID 89166884
tert-butylcyclopentadecane
CID 164774831
1-(4-tert-butyl-1-hydroxycycloheptyl)cycloheptane-1-carbonitrile
CID 79124063
3-amino-1-pyrrolidin-2-ylcyclohexan-1-ol
CID 80561124
1-(azepan-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314996

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol?
The IUPAC name of 1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol (CID 65095040) is 1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol.
What is the SMILES notation for 1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol?
The canonical SMILES for 1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol is CC(C)(C)C1CCCC(O)(C2CCCCCN2)CC1.
What is the InChIKey of 1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol?
The InChIKey is QOPQELFJLQBDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-16(2,3)14-8-7-11-17(19,12-10-14)15-9-5-4-6-13-18-15/h14-15,18-19H,4-13H2,1-3H3.
What are the key properties of 1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol?
1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-4-tert-butylcycloheptan-1-ol is sourced from PubChem (CID 65095040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).