1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine

C13H28N2O — CID 62428927

IUPAC1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
SMILESCCNCC(CC)N(CC)CC1CCCO1
InChIInChI=1S/C13H28N2O/c1-4-12(10-14-5-2)15(6-3)11-13-8-7-9-16-13/h12-14H,4-11H2,1-3H3
InChIKeyIMCBAHACHMMWGY-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds8

About 1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine

1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine (PubChem CID 62428927) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
PubChem CID62428927
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
SMILESCCNCC(CC)N(CC)CC1CCCO1
InChIInChI=1S/C13H28N2O/c1-4-12(10-14-5-2)15(6-3)11-13-8-7-9-16-13/h12-14H,4-11H2,1-3H3
InChIKeyIMCBAHACHMMWGY-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 62435187
4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine
CID 64709069
2-N-ethyl-1-N-(3-methoxypropyl)-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 55087706
4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide
CID 66427136
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 63939905
4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide
CID 66432481
2-cyclopentyl-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 112569824
3-(ethylamino)-2-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 62852036
2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 83041808
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 55087661

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine (CID 62428927) is 1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine is CCNCC(CC)N(CC)CC1CCCO1.
What is the InChIKey of 1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
The InChIKey is IMCBAHACHMMWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-12(10-14-5-2)15(6-3)11-13-8-7-9-16-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine?
1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 62428927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).