N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine

C12H26N2O — CID 63741818

IUPACN-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCC(C)CN(C)C(CN)C1CCCOC1
InChIInChI=1S/C12H26N2O/c1-10(2)8-14(3)12(7-13)11-5-4-6-15-9-11/h10-12H,4-9,13H2,1-3H3
InChIKeyDUCKWFYMVIDZQE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds5

About N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine

N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 63741818) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID63741818
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCC(C)CN(C)C(CN)C1CCCOC1
InChIInChI=1S/C12H26N2O/c1-10(2)8-14(3)12(7-13)11-5-4-6-15-9-11/h10-12H,4-9,13H2,1-3H3
InChIKeyDUCKWFYMVIDZQE-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine (CID 63741818) is N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine is CC(C)CN(C)C(CN)C1CCCOC1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is DUCKWFYMVIDZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)8-14(3)12(7-13)11-5-4-6-15-9-11/h10-12H,4-9,13H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine?
N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 63741818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).