2-[5-chloropentyl(methyl)amino]propan-1-ol

C9H20ClNO — CID 104553871

IUPAC2-[5-chloropentyl(methyl)amino]propan-1-ol
SMILESCC(CO)N(C)CCCCCCl
InChIInChI=1S/C9H20ClNO/c1-9(8-12)11(2)7-5-3-4-6-10/h9,12H,3-8H2,1-2H3
InChIKeyISIMTTYGLOUGPC-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.71
Rot. Bonds7

About 2-[5-chloropentyl(methyl)amino]propan-1-ol

2-[5-chloropentyl(methyl)amino]propan-1-ol (PubChem CID 104553871) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 2-[5-chloropentyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[5-chloropentyl(methyl)amino]propan-1-ol
PubChem CID104553871
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name2-[5-chloropentyl(methyl)amino]propan-1-ol
SMILESCC(CO)N(C)CCCCCCl
InChIInChI=1S/C9H20ClNO/c1-9(8-12)11(2)7-5-3-4-6-10/h9,12H,3-8H2,1-2H3
InChIKeyISIMTTYGLOUGPC-UHFFFAOYSA-N
XLogP1.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(6-sulfanylhexyl)amino]propan-1-ol
CID 104556960
2-[hept-6-enyl(methyl)amino]propan-1-ol
CID 107010121
6-[1-hydroxypropan-2-yl(methyl)amino]hexanoic acid
CID 104552515
5-chloro-N-methyl-N-pentan-3-ylpentan-1-amine
CID 61287130
N-(3-chloropropyl)-N-methylbutan-2-amine
CID 61287944
2-[methyl(2-sulfanylethyl)amino]propan-1-ol
CID 104556945
12-chloro-N,N-dimethyldodecan-1-amine
CID 71338336
1-[4-chlorobutyl(methyl)amino]propan-2-ol
CID 62337748
(2S)-8-chloro-2-methyloctan-1-ol
CID 139766830
N-butyl-5-chloro-N-methylpentan-1-amine
CID 61287321
N-(1-chloropropan-2-yl)-N-methylbutan-1-amine
CID 104555107
6-chloro-N-propan-2-yl-N-propylhexan-1-amine
CID 62227256

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloropentyl(methyl)amino]propan-1-ol?
The IUPAC name of 2-[5-chloropentyl(methyl)amino]propan-1-ol (CID 104553871) is 2-[5-chloropentyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 2-[5-chloropentyl(methyl)amino]propan-1-ol?
The canonical SMILES for 2-[5-chloropentyl(methyl)amino]propan-1-ol is CC(CO)N(C)CCCCCCl.
What is the InChIKey of 2-[5-chloropentyl(methyl)amino]propan-1-ol?
The InChIKey is ISIMTTYGLOUGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO/c1-9(8-12)11(2)7-5-3-4-6-10/h9,12H,3-8H2,1-2H3.
What are the key properties of 2-[5-chloropentyl(methyl)amino]propan-1-ol?
2-[5-chloropentyl(methyl)amino]propan-1-ol has a molecular weight of 193.72 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloropentyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 104553871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).