4-(aminomethyl)cyclohexan-1-ol;hydrochloride

C7H16ClNO — CID 66699718

IUPAC4-(aminomethyl)cyclohexan-1-ol;hydrochloride
SMILESCl.NCC1CCC(O)CC1
InChIInChI=1S/C7H15NO.ClH/c8-5-6-1-3-7(9)4-2-6;/h6-7,9H,1-5,8H2;1H
InChIKeyDWWWGZSFABKRSP-UHFFFAOYSA-N
MW165.66 g/mol
LogP0.92
Rot. Bonds1

About 4-(aminomethyl)cyclohexan-1-ol;hydrochloride

4-(aminomethyl)cyclohexan-1-ol;hydrochloride (PubChem CID 66699718) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 4-(aminomethyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)cyclohexan-1-ol;hydrochloride
PubChem CID66699718
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name4-(aminomethyl)cyclohexan-1-ol;hydrochloride
SMILESCl.NCC1CCC(O)CC1
InChIInChI=1S/C7H15NO.ClH/c8-5-6-1-3-7(9)4-2-6;/h6-7,9H,1-5,8H2;1H
InChIKeyDWWWGZSFABKRSP-UHFFFAOYSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)cyclohexan-1-ol;hydrochloride?
The IUPAC name of 4-(aminomethyl)cyclohexan-1-ol;hydrochloride (CID 66699718) is 4-(aminomethyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 4-(aminomethyl)cyclohexan-1-ol;hydrochloride is Cl.NCC1CCC(O)CC1.
What is the InChIKey of 4-(aminomethyl)cyclohexan-1-ol;hydrochloride?
The InChIKey is DWWWGZSFABKRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c8-5-6-1-3-7(9)4-2-6;/h6-7,9H,1-5,8H2;1H.
What are the key properties of 4-(aminomethyl)cyclohexan-1-ol;hydrochloride?
4-(aminomethyl)cyclohexan-1-ol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 66699718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).