2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol

C12H25NO — CID 80699612

IUPAC2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol
SMILESCCC(N)C1(CCO)CCC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-4-10(13)12(7-8-14)6-5-11(2,3)9-12/h10,14H,4-9,13H2,1-3H3
InChIKeyOVLCHISPKLKQLD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.30
Rot. Bonds4

About 2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol

2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol (PubChem CID 80699612) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol.

Molecular Properties

Compound Name2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol
PubChem CID80699612
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol
SMILESCCC(N)C1(CCO)CCC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-4-10(13)12(7-8-14)6-5-11(2,3)9-12/h10,14H,4-9,13H2,1-3H3
InChIKeyOVLCHISPKLKQLD-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol?
The IUPAC name of 2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol (CID 80699612) is 2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol.
What is the SMILES notation for 2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol?
The canonical SMILES for 2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol is CCC(N)C1(CCO)CCC(C)(C)C1.
What is the InChIKey of 2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol?
The InChIKey is OVLCHISPKLKQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-10(13)12(7-8-14)6-5-11(2,3)9-12/h10,14H,4-9,13H2,1-3H3.
What are the key properties of 2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol?
2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-aminopropyl)-3,3-dimethylcyclopentyl]ethanol is sourced from PubChem (CID 80699612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).