N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine

C12H26N2O — CID 115318806

IUPACN'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine
SMILESCC(C)C1CC(N(C)CCCN)CCO1
InChIInChI=1S/C12H26N2O/c1-10(2)12-9-11(5-8-15-12)14(3)7-4-6-13/h10-12H,4-9,13H2,1-3H3
InChIKeyCXLOGNOANCSNGF-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds5

About N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine

N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine (PubChem CID 115318806) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine
PubChem CID115318806
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine
SMILESCC(C)C1CC(N(C)CCCN)CCO1
InChIInChI=1S/C12H26N2O/c1-10(2)12-9-11(5-8-15-12)14(3)7-4-6-13/h10-12H,4-9,13H2,1-3H3
InChIKeyCXLOGNOANCSNGF-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 107449565
N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
CID 43610795
N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine
CID 115318671
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine
CID 115318700
4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine
CID 79116171
2-(2-propan-2-yloxan-4-yl)propan-1-amine
CID 83906955
N'-cyclopropyl-N'-methylhexane-1,6-diamine
CID 43265095
N'-methyl-N'-(3-methylsulfonylcyclohexyl)pentane-1,5-diamine
CID 107207165
2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid
CID 65058078
N-cyclopropyl-N-(piperidin-4-ylmethyl)-2-propan-2-yloxan-4-amine
CID 79715647
N',2-dimethyl-N'-(oxolan-3-yl)pentane-1,5-diamine
CID 82739452

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine (CID 115318806) is N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine is CC(C)C1CC(N(C)CCCN)CCO1.
What is the InChIKey of N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine?
The InChIKey is CXLOGNOANCSNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)12-9-11(5-8-15-12)14(3)7-4-6-13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine?
N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 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-propan-2-yloxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 115318806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).