N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine

C12H28N2O2 — CID 82683899

IUPACN',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine
SMILESCOCCN(CCCC(C)CN)CCOC
InChIInChI=1S/C12H28N2O2/c1-12(11-13)5-4-6-14(7-9-15-2)8-10-16-3/h12H,4-11,13H2,1-3H3
InChIKeyXHSFKCGWXPCFDI-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.96
Rot. Bonds11

About N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine

N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine (PubChem CID 82683899) has the molecular formula C12H28N2O2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine
PubChem CID82683899
Molecular FormulaC12H28N2O2
Molecular Weight232.37 g/mol
Exact Mass232.22
IUPAC NameN',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine
SMILESCOCCN(CCCC(C)CN)CCOC
InChIInChI=1S/C12H28N2O2/c1-12(11-13)5-4-6-14(7-9-15-2)8-10-16-3/h12H,4-11,13H2,1-3H3
InChIKeyXHSFKCGWXPCFDI-UHFFFAOYSA-N
XLogP0.96
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81079086
6-methoxy-2-methylhexan-1-amine
CID 64666005
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylpentane-1,5-diamine
CID 82016982
N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylbutane-1,4-diamine
CID 81079088
N'-(2-methoxyethyl)-2-methyl-N'-prop-2-enylpropane-1,3-diamine
CID 103339375
N',N'-bis(2-methoxyethyl)ethane-1,2-diamine;dihydrochloride
CID 86811567
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 81079207
ethane;5-methoxy-N,N,4-trimethylpentan-1-amine
CID 143609953
N'-(2-methoxyethyl)-N'-(2-methylpropyl)heptane-1,7-diamine
CID 54985939
2-[3-aminopropyl(2-methoxyethyl)amino]ethanol
CID 63287082
N'-ethyl-N'-(2-methoxyethyl)propane-1,3-diamine
CID 43137192
N'-(2-ethoxyethyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55220253

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine?
The IUPAC name of N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine (CID 82683899) is N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine.
What is the SMILES notation for N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine?
The canonical SMILES for N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine is COCCN(CCCC(C)CN)CCOC.
What is the InChIKey of N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine?
The InChIKey is XHSFKCGWXPCFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-12(11-13)5-4-6-14(7-9-15-2)8-10-16-3/h12H,4-11,13H2,1-3H3.
What are the key properties of N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine?
N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine has a molecular weight of 232.37 g/mol, XLogP of 0.96, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methoxyethyl)-2-methylpentane-1,5-diamine is sourced from PubChem (CID 82683899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).