2-amino-1-cycloheptyl-1-cyclopropylethanol

C12H23NO — CID 82928815

IUPAC2-amino-1-cycloheptyl-1-cyclopropylethanol
SMILESNCC(O)(C1CCCCCC1)C1CC1
InChIInChI=1S/C12H23NO/c13-9-12(14,11-7-8-11)10-5-3-1-2-4-6-10/h10-11,14H,1-9,13H2
InChIKeyZDGKUBIAKQZYGE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.06
Rot. Bonds3

About 2-amino-1-cycloheptyl-1-cyclopropylethanol

2-amino-1-cycloheptyl-1-cyclopropylethanol (PubChem CID 82928815) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-amino-1-cycloheptyl-1-cyclopropylethanol.

Molecular Properties

Compound Name2-amino-1-cycloheptyl-1-cyclopropylethanol
PubChem CID82928815
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-amino-1-cycloheptyl-1-cyclopropylethanol
SMILESNCC(O)(C1CCCCCC1)C1CC1
InChIInChI=1S/C12H23NO/c13-9-12(14,11-7-8-11)10-5-3-1-2-4-6-10/h10-11,14H,1-9,13H2
InChIKeyZDGKUBIAKQZYGE-UHFFFAOYSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cycloheptyl-1-cyclopropylethanol?
The IUPAC name of 2-amino-1-cycloheptyl-1-cyclopropylethanol (CID 82928815) is 2-amino-1-cycloheptyl-1-cyclopropylethanol.
What is the SMILES notation for 2-amino-1-cycloheptyl-1-cyclopropylethanol?
The canonical SMILES for 2-amino-1-cycloheptyl-1-cyclopropylethanol is NCC(O)(C1CCCCCC1)C1CC1.
What is the InChIKey of 2-amino-1-cycloheptyl-1-cyclopropylethanol?
The InChIKey is ZDGKUBIAKQZYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-9-12(14,11-7-8-11)10-5-3-1-2-4-6-10/h10-11,14H,1-9,13H2.
What are the key properties of 2-amino-1-cycloheptyl-1-cyclopropylethanol?
2-amino-1-cycloheptyl-1-cyclopropylethanol has a molecular weight of 197.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cycloheptyl-1-cyclopropylethanol is sourced from PubChem (CID 82928815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).