2-(1-amino-4-propan-2-ylcycloheptyl)ethanol

C12H25NO — CID 65240022

IUPAC2-(1-amino-4-propan-2-ylcycloheptyl)ethanol
SMILESCC(C)C1CCCC(N)(CCO)CC1
InChIInChI=1S/C12H25NO/c1-10(2)11-4-3-6-12(13,7-5-11)8-9-14/h10-11,14H,3-9,13H2,1-2H3
InChIKeyAPFUSYKBCIMJFN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.30
Rot. Bonds3

About 2-(1-amino-4-propan-2-ylcycloheptyl)ethanol

2-(1-amino-4-propan-2-ylcycloheptyl)ethanol (PubChem CID 65240022) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(1-amino-4-propan-2-ylcycloheptyl)ethanol.

Molecular Properties

Compound Name2-(1-amino-4-propan-2-ylcycloheptyl)ethanol
PubChem CID65240022
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(1-amino-4-propan-2-ylcycloheptyl)ethanol
SMILESCC(C)C1CCCC(N)(CCO)CC1
InChIInChI=1S/C12H25NO/c1-10(2)11-4-3-6-12(13,7-5-11)8-9-14/h10-11,14H,3-9,13H2,1-2H3
InChIKeyAPFUSYKBCIMJFN-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine
CID 83158864
2-(1-amino-3-propan-2-ylcyclobutyl)ethanol
CID 103565314
1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65167150
1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086951
1,4-di(propan-2-yl)cycloheptan-1-amine
CID 65086898
1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411887
2-[1-(ethylamino)-4-propan-2-ylcycloheptyl]ethanol
CID 65234410
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761
1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 65421379
1-[(2-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086364
1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 130515407
1-(2-ethylbutyl)-3-propan-2-ylcyclohexan-1-amine
CID 107450116

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-propan-2-ylcycloheptyl)ethanol?
The IUPAC name of 2-(1-amino-4-propan-2-ylcycloheptyl)ethanol (CID 65240022) is 2-(1-amino-4-propan-2-ylcycloheptyl)ethanol.
What is the SMILES notation for 2-(1-amino-4-propan-2-ylcycloheptyl)ethanol?
The canonical SMILES for 2-(1-amino-4-propan-2-ylcycloheptyl)ethanol is CC(C)C1CCCC(N)(CCO)CC1.
What is the InChIKey of 2-(1-amino-4-propan-2-ylcycloheptyl)ethanol?
The InChIKey is APFUSYKBCIMJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)11-4-3-6-12(13,7-5-11)8-9-14/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 2-(1-amino-4-propan-2-ylcycloheptyl)ethanol?
2-(1-amino-4-propan-2-ylcycloheptyl)ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-propan-2-ylcycloheptyl)ethanol is sourced from PubChem (CID 65240022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).