(2-aminocycloheptyl)methanol;hydrochloride

C8H18ClNO — CID 71755910

IUPAC(2-aminocycloheptyl)methanol;hydrochloride
SMILESCl.NC1CCCCCC1CO
InChIInChI=1S/C8H17NO.ClH/c9-8-5-3-1-2-4-7(8)6-10;/h7-8,10H,1-6,9H2;1H
InChIKeyXZYKLYYHKOMKLF-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.31
Rot. Bonds1

About (2-aminocycloheptyl)methanol;hydrochloride

(2-aminocycloheptyl)methanol;hydrochloride (PubChem CID 71755910) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is (2-aminocycloheptyl)methanol;hydrochloride.

Molecular Properties

Compound Name(2-aminocycloheptyl)methanol;hydrochloride
PubChem CID71755910
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name(2-aminocycloheptyl)methanol;hydrochloride
SMILESCl.NC1CCCCCC1CO
InChIInChI=1S/C8H17NO.ClH/c9-8-5-3-1-2-4-7(8)6-10;/h7-8,10H,1-6,9H2;1H
InChIKeyXZYKLYYHKOMKLF-UHFFFAOYSA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)methanol;hydrochloride?
The IUPAC name of (2-aminocycloheptyl)methanol;hydrochloride (CID 71755910) is (2-aminocycloheptyl)methanol;hydrochloride.
What is the SMILES notation for (2-aminocycloheptyl)methanol;hydrochloride?
The canonical SMILES for (2-aminocycloheptyl)methanol;hydrochloride is Cl.NC1CCCCCC1CO.
What is the InChIKey of (2-aminocycloheptyl)methanol;hydrochloride?
The InChIKey is XZYKLYYHKOMKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c9-8-5-3-1-2-4-7(8)6-10;/h7-8,10H,1-6,9H2;1H.
What are the key properties of (2-aminocycloheptyl)methanol;hydrochloride?
(2-aminocycloheptyl)methanol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)methanol;hydrochloride is sourced from PubChem (CID 71755910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).