1-chloro-3-[methyl(pentyl)amino]propan-2-ol

C9H20ClNO — CID 112561245

IUPAC1-chloro-3-[methyl(pentyl)amino]propan-2-ol
SMILESCCCCCN(C)CC(O)CCl
InChIInChI=1S/C9H20ClNO/c1-3-4-5-6-11(2)8-9(12)7-10/h9,12H,3-8H2,1-2H3
InChIKeyHQEBXEICTRJRCB-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.71
Rot. Bonds7

About 1-chloro-3-[methyl(pentyl)amino]propan-2-ol

1-chloro-3-[methyl(pentyl)amino]propan-2-ol (PubChem CID 112561245) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 1-chloro-3-[methyl(pentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[methyl(pentyl)amino]propan-2-ol
PubChem CID112561245
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name1-chloro-3-[methyl(pentyl)amino]propan-2-ol
SMILESCCCCCN(C)CC(O)CCl
InChIInChI=1S/C9H20ClNO/c1-3-4-5-6-11(2)8-9(12)7-10/h9,12H,3-8H2,1-2H3
InChIKeyHQEBXEICTRJRCB-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

1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol
CID 21332463
1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol
CID 112561466
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
1-[methyl(pentyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 43294743
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621
3-[butyl(methyl)amino]-2-hydroxypropane-1-sulfonic acid
CID 163987665
N-(2-chloropropyl)-N-methyldecan-1-amine
CID 63388081
1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
CID 123552259
bis(1-chloro-3-(dimethylamino)propan-2-ol);propane;dihydrochloride
CID 173321209
1-[methyl(pentyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 111916407
1-[4-chlorobutyl(methyl)amino]propan-2-ol
CID 62337748

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[methyl(pentyl)amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[methyl(pentyl)amino]propan-2-ol (CID 112561245) is 1-chloro-3-[methyl(pentyl)amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[methyl(pentyl)amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[methyl(pentyl)amino]propan-2-ol is CCCCCN(C)CC(O)CCl.
What is the InChIKey of 1-chloro-3-[methyl(pentyl)amino]propan-2-ol?
The InChIKey is HQEBXEICTRJRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20ClNO/c1-3-4-5-6-11(2)8-9(12)7-10/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-chloro-3-[methyl(pentyl)amino]propan-2-ol?
1-chloro-3-[methyl(pentyl)amino]propan-2-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 1-chloro-3-[methyl(pentyl)amino]propan-2-ol is sourced from PubChem (CID 112561245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).