4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol

C9H21NO — CID 117241786

IUPAC4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol
SMILESCNCC(CO)CC(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)5-8(7-11)6-10-4/h8,10-11H,5-7H2,1-4H3
InChIKeyDYTPVTDKTNBJMY-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.25
Rot. Bonds4

About 4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol

4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol (PubChem CID 117241786) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol
PubChem CID117241786
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol
SMILESCNCC(CO)CC(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)5-8(7-11)6-10-4/h8,10-11H,5-7H2,1-4H3
InChIKeyDYTPVTDKTNBJMY-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpropyl)butane-1,4-diol
CID 140997808
4,4-dimethyl-2-propylpentan-1-ol
CID 87272554
2-chloro-N,4,4-trimethylpentan-1-amine
CID 107155762
(3S,4R)-N,2,3,4,5,7,7-heptamethyloctan-1-amine
CID 162040885
2-(2,2,4,4-tetramethylpentyl)propane-1,3-diol
CID 59345678
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-ol;2-(2,2-dimethylpropyl)-4,4-dimethylpentan-1-ol
CID 162148938
3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
CID 107151993
(2R,3S,4S,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 12598089
(2R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 89253185
(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol
CID 59973525
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
2-cyclopropyl-N,4,4-trimethylpentan-1-amine
CID 83827155

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol (CID 117241786) is 4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol is CNCC(CO)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol?
The InChIKey is DYTPVTDKTNBJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(2,3)5-8(7-11)6-10-4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol?
4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(methylaminomethyl)pentan-1-ol is sourced from PubChem (CID 117241786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).