2-[(4-propan-2-ylcycloheptyl)amino]ethanol

C12H25NO — CID 65086684

IUPAC2-[(4-propan-2-ylcycloheptyl)amino]ethanol
SMILESCC(C)C1CCCC(NCCO)CC1
InChIInChI=1S/C12H25NO/c1-10(2)11-4-3-5-12(7-6-11)13-8-9-14/h10-14H,3-9H2,1-2H3
InChIKeyFHCZBZHXNGOOFI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds4

About 2-[(4-propan-2-ylcycloheptyl)amino]ethanol

2-[(4-propan-2-ylcycloheptyl)amino]ethanol (PubChem CID 65086684) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[(4-propan-2-ylcycloheptyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-propan-2-ylcycloheptyl)amino]ethanol
PubChem CID65086684
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[(4-propan-2-ylcycloheptyl)amino]ethanol
SMILESCC(C)C1CCCC(NCCO)CC1
InChIInChI=1S/C12H25NO/c1-10(2)11-4-3-5-12(7-6-11)13-8-9-14/h10-14H,3-9H2,1-2H3
InChIKeyFHCZBZHXNGOOFI-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 113340266
4-propan-2-yl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 65091618
N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
CID 115756514
3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide
CID 65091127
4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
CID 115517023
N-(2-butoxyethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091022
5-[(4-propan-2-ylcyclohexyl)amino]pentan-2-ol
CID 107267674
N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 63451987
N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091288
4-methyl-2-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 65091413
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 62707679

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylcycloheptyl)amino]ethanol?
The IUPAC name of 2-[(4-propan-2-ylcycloheptyl)amino]ethanol (CID 65086684) is 2-[(4-propan-2-ylcycloheptyl)amino]ethanol.
What is the SMILES notation for 2-[(4-propan-2-ylcycloheptyl)amino]ethanol?
The canonical SMILES for 2-[(4-propan-2-ylcycloheptyl)amino]ethanol is CC(C)C1CCCC(NCCO)CC1.
What is the InChIKey of 2-[(4-propan-2-ylcycloheptyl)amino]ethanol?
The InChIKey is FHCZBZHXNGOOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)11-4-3-5-12(7-6-11)13-8-9-14/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylcycloheptyl)amino]ethanol?
2-[(4-propan-2-ylcycloheptyl)amino]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylcycloheptyl)amino]ethanol is sourced from PubChem (CID 65086684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).