1-(aminomethyl)cycloheptan-1-ol;hydrochloride

C8H18ClNO — CID 18438647

IUPAC1-(aminomethyl)cycloheptan-1-ol;hydrochloride
SMILESCl.NCC1(O)CCCCCC1
InChIInChI=1S/C8H17NO.ClH/c9-7-8(10)5-3-1-2-4-6-8;/h10H,1-7,9H2;1H
InChIKeyOWUQPXVIOASEHZ-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.45
Rot. Bonds1

About 1-(aminomethyl)cycloheptan-1-ol;hydrochloride

1-(aminomethyl)cycloheptan-1-ol;hydrochloride (PubChem CID 18438647) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 1-(aminomethyl)cycloheptan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)cycloheptan-1-ol;hydrochloride
PubChem CID18438647
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name1-(aminomethyl)cycloheptan-1-ol;hydrochloride
SMILESCl.NCC1(O)CCCCCC1
InChIInChI=1S/C8H17NO.ClH/c9-7-8(10)5-3-1-2-4-6-8;/h10H,1-7,9H2;1H
InChIKeyOWUQPXVIOASEHZ-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cycloheptan-1-ol;hydrochloride?
The IUPAC name of 1-(aminomethyl)cycloheptan-1-ol;hydrochloride (CID 18438647) is 1-(aminomethyl)cycloheptan-1-ol;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)cycloheptan-1-ol;hydrochloride?
The canonical SMILES for 1-(aminomethyl)cycloheptan-1-ol;hydrochloride is Cl.NCC1(O)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)cycloheptan-1-ol;hydrochloride?
The InChIKey is OWUQPXVIOASEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c9-7-8(10)5-3-1-2-4-6-8;/h10H,1-7,9H2;1H.
What are the key properties of 1-(aminomethyl)cycloheptan-1-ol;hydrochloride?
1-(aminomethyl)cycloheptan-1-ol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cycloheptan-1-ol;hydrochloride is sourced from PubChem (CID 18438647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).