5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol

C10H22ClNO — CID 107203582

IUPAC5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol
SMILESCC(CCl)CN(C)CCCCCO
InChIInChI=1S/C10H22ClNO/c1-10(8-11)9-12(2)6-4-3-5-7-13/h10,13H,3-9H2,1-2H3
InChIKeyUZSGJZLRIKEBEJ-UHFFFAOYSA-N
MW207.74 g/mol
LogP1.96
Rot. Bonds8

About 5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol

5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol (PubChem CID 107203582) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is 5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol
PubChem CID107203582
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol
SMILESCC(CCl)CN(C)CCCCCO
InChIInChI=1S/C10H22ClNO/c1-10(8-11)9-12(2)6-4-3-5-7-13/h10,13H,3-9H2,1-2H3
InChIKeyUZSGJZLRIKEBEJ-UHFFFAOYSA-N
XLogP1.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 51.96
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

5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
3-[5-hydroxypentyl(methyl)amino]-2-methylpropanamide
CID 107204205
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
(2R)-1-[3-hydroxypropyl(methyl)amino]propan-2-ol
CID 126974823
5-[2-(bromomethyl)butyl-methylamino]pentan-1-ol
CID 107203593
1-[4-chlorobutyl(methyl)amino]propan-2-ol
CID 62337748
N-methyl-N-(2-methylpropyl)butan-1-amine;pentan-1-ol
CID 169214639
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
5-[2-ethylhexyl(methyl)amino]pentan-1-ol
CID 107203981
5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol
CID 107204197
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol?
The IUPAC name of 5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol (CID 107203582) is 5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol?
The canonical SMILES for 5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol is CC(CCl)CN(C)CCCCCO.
What is the InChIKey of 5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol?
The InChIKey is UZSGJZLRIKEBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO/c1-10(8-11)9-12(2)6-4-3-5-7-13/h10,13H,3-9H2,1-2H3.
What are the key properties of 5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol?
5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol has a molecular weight of 207.74 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol is sourced from PubChem (CID 107203582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).