2-[3-chloropropyl(cyclopentyl)amino]ethanol

C10H20ClNO — CID 55208194

IUPAC2-[3-chloropropyl(cyclopentyl)amino]ethanol
SMILESOCCN(CCCCl)C1CCCC1
InChIInChI=1S/C10H20ClNO/c11-6-3-7-12(8-9-13)10-4-1-2-5-10/h10,13H,1-9H2
InChIKeyJPPNITQIHQEDTP-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.85
Rot. Bonds6

About 2-[3-chloropropyl(cyclopentyl)amino]ethanol

2-[3-chloropropyl(cyclopentyl)amino]ethanol (PubChem CID 55208194) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 2-[3-chloropropyl(cyclopentyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-chloropropyl(cyclopentyl)amino]ethanol
PubChem CID55208194
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name2-[3-chloropropyl(cyclopentyl)amino]ethanol
SMILESOCCN(CCCCl)C1CCCC1
InChIInChI=1S/C10H20ClNO/c11-6-3-7-12(8-9-13)10-4-1-2-5-10/h10,13H,1-9H2
InChIKeyJPPNITQIHQEDTP-UHFFFAOYSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
3-[cyclopropyl(2-hydroxyethyl)amino]propan-1-ol
CID 61067850
N-(3-chloropropyl)-N-(cyclopentylmethyl)cyclobutanamine
CID 102860573
N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940
2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol
CID 55163330
4-[cyclobutyl(2-hydroxyethyl)amino]butanimidamide
CID 102863095
3-[cyclopentyl-[3-(cyclopentylamino)propyl]amino]propan-1-ol
CID 149152663
5-[cyclobutyl(2-hydroxyethyl)amino]pentanoic acid
CID 102863962
2-[cyclopentyl(3,3,3-trifluoropropyl)amino]ethanol
CID 64567596

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloropropyl(cyclopentyl)amino]ethanol?
The IUPAC name of 2-[3-chloropropyl(cyclopentyl)amino]ethanol (CID 55208194) is 2-[3-chloropropyl(cyclopentyl)amino]ethanol.
What is the SMILES notation for 2-[3-chloropropyl(cyclopentyl)amino]ethanol?
The canonical SMILES for 2-[3-chloropropyl(cyclopentyl)amino]ethanol is OCCN(CCCCl)C1CCCC1.
What is the InChIKey of 2-[3-chloropropyl(cyclopentyl)amino]ethanol?
The InChIKey is JPPNITQIHQEDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c11-6-3-7-12(8-9-13)10-4-1-2-5-10/h10,13H,1-9H2.
What are the key properties of 2-[3-chloropropyl(cyclopentyl)amino]ethanol?
2-[3-chloropropyl(cyclopentyl)amino]ethanol has a molecular weight of 205.73 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloropropyl(cyclopentyl)amino]ethanol is sourced from PubChem (CID 55208194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).