N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine

C15H32N2O — CID 62554177

IUPACN'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN(C)C(C)C(C)(C)C)C1CCCO1
InChIInChI=1S/C15H32N2O/c1-12(14-8-7-11-18-14)16-9-10-17(6)13(2)15(3,4)5/h12-14,16H,7-11H2,1-6H3
InChIKeyLQSVSDNQDCUISD-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds6

About N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine

N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 62554177) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
PubChem CID62554177
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(NCCN(C)C(C)C(C)(C)C)C1CCCO1
InChIInChI=1S/C15H32N2O/c1-12(14-8-7-11-18-14)16-9-10-17(6)13(2)15(3,4)5/h12-14,16H,7-11H2,1-6H3
InChIKeyLQSVSDNQDCUISD-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine (CID 62554177) is N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine is CC(NCCN(C)C(C)C(C)(C)C)C1CCCO1.
What is the InChIKey of N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is LQSVSDNQDCUISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(14-8-7-11-18-14)16-9-10-17(6)13(2)15(3,4)5/h12-14,16H,7-11H2,1-6H3.
What are the key properties of N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine?
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutan-2-yl)-N'-methyl-N-[1-(oxolan-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62554177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).