N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine

C16H34N2O — CID 107869656

IUPACN',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCC(C)CCN(CCC(C)C)CC(N)C1CCOC1
InChIInChI=1S/C16H34N2O/c1-13(2)5-8-18(9-6-14(3)4)11-16(17)15-7-10-19-12-15/h13-16H,5-12,17H2,1-4H3
InChIKeyKJEPKBQDAJXDFK-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.74
Rot. Bonds9

About N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine

N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 107869656) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID107869656
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCC(C)CCN(CCC(C)C)CC(N)C1CCOC1
InChIInChI=1S/C16H34N2O/c1-13(2)5-8-18(9-6-14(3)4)11-16(17)15-7-10-19-12-15/h13-16H,5-12,17H2,1-4H3
InChIKeyKJEPKBQDAJXDFK-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869689
N'-methyl-N'-(3-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744855
N'-methyl-1-(oxolan-3-yl)-N'-propylethane-1,2-diamine
CID 104744694
2-(3-methylbutoxy)-1-(oxolan-3-yl)ethanamine
CID 104748684
2-(4-methylpentoxy)-1-(oxolan-3-yl)ethanamine
CID 104748945
1-(oxolan-3-yl)butan-1-amine
CID 63564938
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
N'-(1-methoxypropan-2-yl)-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745360
N'-ethyl-N'-(1-methoxypropan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745597
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752726
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 107869656) is N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine is CC(C)CCN(CCC(C)C)CC(N)C1CCOC1.
What is the InChIKey of N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is KJEPKBQDAJXDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)5-8-18(9-6-14(3)4)11-16(17)15-7-10-19-12-15/h13-16H,5-12,17H2,1-4H3.
What are the key properties of N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 270.46 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107869656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).