5-[methyl(methylamino)amino]pentan-2-ol

C7H18N2O — CID 123798269

IUPAC5-[methyl(methylamino)amino]pentan-2-ol
SMILESCNN(C)CCCC(C)O
InChIInChI=1S/C7H18N2O/c1-7(10)5-4-6-9(3)8-2/h7-8,10H,4-6H2,1-3H3
InChIKeyDYTFIPLJQXHUMR-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.21
Rot. Bonds5

About 5-[methyl(methylamino)amino]pentan-2-ol

5-[methyl(methylamino)amino]pentan-2-ol (PubChem CID 123798269) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 5-[methyl(methylamino)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[methyl(methylamino)amino]pentan-2-ol
PubChem CID123798269
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name5-[methyl(methylamino)amino]pentan-2-ol
SMILESCNN(C)CCCC(C)O
InChIInChI=1S/C7H18N2O/c1-7(10)5-4-6-9(3)8-2/h7-8,10H,4-6H2,1-3H3
InChIKeyDYTFIPLJQXHUMR-UHFFFAOYSA-N
XLogP0.21
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-6-[methyl(methylamino)amino]hexan-1-amine
CID 137380902
CID 86038274
CID 86038274
4-[methyl(methylamino)amino]butanoic acid
CID 143573118
1,2-dimethyl-1-tridecylhydrazine
CID 174855758
6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
CID 63701347
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
2-methyl-1-(5-methylhexyl)-1-(4-methylpentyl)hydrazine
CID 134479881
1-(dimethylamino)octane-2,7-diol
CID 123214691
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
10-methylundecane-2,6-diol
CID 88681561
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
6-(methylamino)octan-2-ol
CID 170714877

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(methylamino)amino]pentan-2-ol?
The IUPAC name of 5-[methyl(methylamino)amino]pentan-2-ol (CID 123798269) is 5-[methyl(methylamino)amino]pentan-2-ol.
What is the SMILES notation for 5-[methyl(methylamino)amino]pentan-2-ol?
The canonical SMILES for 5-[methyl(methylamino)amino]pentan-2-ol is CNN(C)CCCC(C)O.
What is the InChIKey of 5-[methyl(methylamino)amino]pentan-2-ol?
The InChIKey is DYTFIPLJQXHUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-7(10)5-4-6-9(3)8-2/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 5-[methyl(methylamino)amino]pentan-2-ol?
5-[methyl(methylamino)amino]pentan-2-ol has a molecular weight of 146.23 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(methylamino)amino]pentan-2-ol is sourced from PubChem (CID 123798269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).