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

C12H26N2O2 — CID 63740765

IUPACN-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)C1CCCOC1
InChIInChI=1S/C12H26N2O2/c1-10(8-15-3)14(2)12(7-13)11-5-4-6-16-9-11/h10-12H,4-9,13H2,1-3H3
InChIKeyKIXOLOBBUATCOX-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.71
Rot. Bonds6

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

N-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine (PubChem CID 63740765) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
PubChem CID63740765
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)C1CCCOC1
InChIInChI=1S/C12H26N2O2/c1-10(8-15-3)14(2)12(7-13)11-5-4-6-16-9-11/h10-12H,4-9,13H2,1-3H3
InChIKeyKIXOLOBBUATCOX-UHFFFAOYSA-N
XLogP0.71
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine (CID 63740765) is N-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine is COCC(C)N(C)C(CN)C1CCCOC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
The InChIKey is KIXOLOBBUATCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(8-15-3)14(2)12(7-13)11-5-4-6-16-9-11/h10-12H,4-9,13H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine?
N-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 63740765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).