2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol

C16H33NO — CID 66090275

IUPAC2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol
SMILESCC(C)(C)C1CCCC(CCO)(C(C)(C)N)CC1
InChIInChI=1S/C16H33NO/c1-14(2,3)13-7-6-9-16(10-8-13,11-12-18)15(4,5)17/h13,18H,6-12,17H2,1-5H3
InChIKeyWSXPYTAYJYWRFX-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.72
Rot. Bonds3

About 2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol

2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol (PubChem CID 66090275) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol.

Molecular Properties

Compound Name2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol
PubChem CID66090275
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol
SMILESCC(C)(C)C1CCCC(CCO)(C(C)(C)N)CC1
InChIInChI=1S/C16H33NO/c1-14(2,3)13-7-6-9-16(10-8-13,11-12-18)15(4,5)17/h13,18H,6-12,17H2,1-5H3
InChIKeyWSXPYTAYJYWRFX-UHFFFAOYSA-N
XLogP3.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol?
The IUPAC name of 2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol (CID 66090275) is 2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol.
What is the SMILES notation for 2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol?
The canonical SMILES for 2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol is CC(C)(C)C1CCCC(CCO)(C(C)(C)N)CC1.
What is the InChIKey of 2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol?
The InChIKey is WSXPYTAYJYWRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-14(2,3)13-7-6-9-16(10-8-13,11-12-18)15(4,5)17/h13,18H,6-12,17H2,1-5H3.
What are the key properties of 2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol?
2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol has a molecular weight of 255.45 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol is sourced from PubChem (CID 66090275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).