1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride

C9H21Cl2NO — CID 175413276

IUPAC1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride
SMILESCCN(CC)CCCC(O)CCl.Cl
InChIInChI=1S/C9H20ClNO.ClH/c1-3-11(4-2)7-5-6-9(12)8-10;/h9,12H,3-8H2,1-2H3;1H
InChIKeyOVYSMEKGFDFIGB-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.13
Rot. Bonds7

About 1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride

1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride (PubChem CID 175413276) has the molecular formula C9H21Cl2NO and a molecular weight of 230.18 g/mol. Its IUPAC name is 1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride
PubChem CID175413276
Molecular FormulaC9H21Cl2NO
Molecular Weight230.18 g/mol
Exact Mass229.10
IUPAC Name1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride
SMILESCCN(CC)CCCC(O)CCl.Cl
InChIInChI=1S/C9H20ClNO.ClH/c1-3-11(4-2)7-5-6-9(12)8-10;/h9,12H,3-8H2,1-2H3;1H
InChIKeyOVYSMEKGFDFIGB-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride?
The IUPAC name of 1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride (CID 175413276) is 1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride.
What is the SMILES notation for 1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride?
The canonical SMILES for 1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride is CCN(CC)CCCC(O)CCl.Cl.
What is the InChIKey of 1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride?
The InChIKey is OVYSMEKGFDFIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO.ClH/c1-3-11(4-2)7-5-6-9(12)8-10;/h9,12H,3-8H2,1-2H3;1H.
What are the key properties of 1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride?
1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride has a molecular weight of 230.18 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(diethylamino)pentan-2-ol;hydrochloride is sourced from PubChem (CID 175413276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).