2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol

C15H34N2O — CID 81412557

IUPAC2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol
SMILESCCC(CC)C(CNCC(C)(CC)CO)N(C)C
InChIInChI=1S/C15H34N2O/c1-7-13(8-2)14(17(5)6)10-16-11-15(4,9-3)12-18/h13-14,16,18H,7-12H2,1-6H3
InChIKeyNBPXQNUPUBZRCO-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.35
Rot. Bonds10

About 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol

2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol (PubChem CID 81412557) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol
PubChem CID81412557
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol
SMILESCCC(CC)C(CNCC(C)(CC)CO)N(C)C
InChIInChI=1S/C15H34N2O/c1-7-13(8-2)14(17(5)6)10-16-11-15(4,9-3)12-18/h13-14,16,18H,7-12H2,1-6H3
InChIKeyNBPXQNUPUBZRCO-UHFFFAOYSA-N
XLogP2.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]butan-1-ol
CID 81419151
2-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-2-methylpropane-1,3-diol
CID 106285929
tert-butyl N-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2-methylpropyl]-N-methylcarbamate
CID 107246629
3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine
CID 43096593
3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol
CID 65333297
2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N,N-dimethylacetamide
CID 81412798
2-[[2-[ethyl(methyl)amino]ethylamino]methyl]-2-methylbutan-1-ol
CID 81419046
2-[[(4-ethylcyclohexyl)methylamino]methyl]-2-methylbutan-1-ol
CID 81419618
2-[(2-aminoethylamino)methyl]-2-methylbutan-1-ol
CID 81418901
N-ethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]-N-methylacetamide
CID 107649223
1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol
CID 81418868
3-ethyl-1-N-heptyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43130327

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol (CID 81412557) is 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol is CCC(CC)C(CNCC(C)(CC)CO)N(C)C.
What is the InChIKey of 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol?
The InChIKey is NBPXQNUPUBZRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-7-13(8-2)14(17(5)6)10-16-11-15(4,9-3)12-18/h13-14,16,18H,7-12H2,1-6H3.
What are the key properties of 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol?
2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol has a molecular weight of 258.45 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81412557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).