N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine

C11H26N2O — CID 106114896

IUPACN'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine
SMILESCCC(CC)(CC)NCC(CN)OC
InChIInChI=1S/C11H26N2O/c1-5-11(6-2,7-3)13-9-10(8-12)14-4/h10,13H,5-9,12H2,1-4H3
InChIKeyVKEMVBBSFUJIGY-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.52
Rot. Bonds8

About N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine

N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine (PubChem CID 106114896) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine
PubChem CID106114896
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine
SMILESCCC(CC)(CC)NCC(CN)OC
InChIInChI=1S/C11H26N2O/c1-5-11(6-2,7-3)13-9-10(8-12)14-4/h10,13H,5-9,12H2,1-4H3
InChIKeyVKEMVBBSFUJIGY-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N'-(2,4,4-trimethylpentan-2-yl)propane-1,3-diamine
CID 106114726
2-methoxy-N'-methylpropane-1,3-diamine
CID 20763150
(2S)-2-methoxybutan-1-amine
CID 42427147
N'-heptan-2-yl-2-methoxypropane-1,3-diamine
CID 106114667
1-N-(3-ethylpentan-3-yl)-4-methoxybutane-1,2-diamine
CID 65041304
3-ethyl-N-(3-methoxy-2-methylpropyl)pentan-3-amine
CID 116501336
2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine
CID 106115064
N-(3-ethylpentan-3-yl)-2-methylbutane-1,4-diamine
CID 80544089
2,5-dimethoxyhexane-1,6-diamine
CID 141495487
2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine
CID 106115133
2-methoxy-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 106114849
N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine
CID 65041354

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine?
The IUPAC name of N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine (CID 106114896) is N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine.
What is the SMILES notation for N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine?
The canonical SMILES for N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine is CCC(CC)(CC)NCC(CN)OC.
What is the InChIKey of N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine?
The InChIKey is VKEMVBBSFUJIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-11(6-2,7-3)13-9-10(8-12)14-4/h10,13H,5-9,12H2,1-4H3.
What are the key properties of N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine?
N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethylpentan-3-yl)-2-methoxypropane-1,3-diamine is sourced from PubChem (CID 106114896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).