5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol

C9H18ClNO — CID 107203875

IUPAC5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol
SMILESC=C(Cl)CN(C)CCCCCO
InChIInChI=1S/C9H18ClNO/c1-9(10)8-11(2)6-4-3-5-7-12/h12H,1,3-8H2,2H3
InChIKeyPOPBXPREZVGLTK-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.83
Rot. Bonds7

About 5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol

5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol (PubChem CID 107203875) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol
PubChem CID107203875
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol
SMILESC=C(Cl)CN(C)CCCCCO
InChIInChI=1S/C9H18ClNO/c1-9(10)8-11(2)6-4-3-5-7-12/h12H,1,3-8H2,2H3
InChIKeyPOPBXPREZVGLTK-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol
CID 107203626
1-[5-hydroxypentyl(methyl)amino]propan-2-one
CID 107201025
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379
2-[5-hydroxypentyl(methyl)amino]ethanimidamide
CID 107200220
8-[4-hydroxybutyl(methyl)amino]octanoic acid
CID 170273810
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol
CID 107203582
N-methyl-N-(2-methylprop-2-enyl)octan-1-amine
CID 20788988
N-cycloheptyl-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107204158
N-(4-amino-2,6-dichlorophenyl)-2-[5-hydroxypentyl(methyl)amino]acetamide
CID 107198287

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol?
The IUPAC name of 5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol (CID 107203875) is 5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol?
The canonical SMILES for 5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol is C=C(Cl)CN(C)CCCCCO.
What is the InChIKey of 5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol?
The InChIKey is POPBXPREZVGLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-9(10)8-11(2)6-4-3-5-7-12/h12H,1,3-8H2,2H3.
What are the key properties of 5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol?
5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol has a molecular weight of 191.70 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol is sourced from PubChem (CID 107203875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).