3-(cyclohexylamino)propan-1-ol;hydrochloride

C9H20ClNO — CID 23075591

IUPAC3-(cyclohexylamino)propan-1-ol;hydrochloride
SMILESCl.OCCCNC1CCCCC1
InChIInChI=1S/C9H19NO.ClH/c11-8-4-7-10-9-5-2-1-3-6-9;/h9-11H,1-8H2;1H
InChIKeyMYGHKFFTPJIQHQ-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.71
Rot. Bonds4

About 3-(cyclohexylamino)propan-1-ol;hydrochloride

3-(cyclohexylamino)propan-1-ol;hydrochloride (PubChem CID 23075591) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 3-(cyclohexylamino)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-(cyclohexylamino)propan-1-ol;hydrochloride
PubChem CID23075591
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name3-(cyclohexylamino)propan-1-ol;hydrochloride
SMILESCl.OCCCNC1CCCCC1
InChIInChI=1S/C9H19NO.ClH/c11-8-4-7-10-9-5-2-1-3-6-9;/h9-11H,1-8H2;1H
InChIKeyMYGHKFFTPJIQHQ-UHFFFAOYSA-N
XLogP1.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)propan-1-ol;hydrochloride?
The IUPAC name of 3-(cyclohexylamino)propan-1-ol;hydrochloride (CID 23075591) is 3-(cyclohexylamino)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-(cyclohexylamino)propan-1-ol;hydrochloride?
The canonical SMILES for 3-(cyclohexylamino)propan-1-ol;hydrochloride is Cl.OCCCNC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)propan-1-ol;hydrochloride?
The InChIKey is MYGHKFFTPJIQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c11-8-4-7-10-9-5-2-1-3-6-9;/h9-11H,1-8H2;1H.
What are the key properties of 3-(cyclohexylamino)propan-1-ol;hydrochloride?
3-(cyclohexylamino)propan-1-ol;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)propan-1-ol;hydrochloride is sourced from PubChem (CID 23075591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).