N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine

C9H20N2O — CID 82718003

IUPACN'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
SMILESCC1OCCC1N(C)CCCN
InChIInChI=1S/C9H20N2O/c1-8-9(4-7-12-8)11(2)6-3-5-10/h8-9H,3-7,10H2,1-2H3
InChIKeyBKGHRSVCWCTADF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.44
Rot. Bonds4

About N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine

N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine (PubChem CID 82718003) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
PubChem CID82718003
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
SMILESCC1OCCC1N(C)CCCN
InChIInChI=1S/C9H20N2O/c1-8-9(4-7-12-8)11(2)6-3-5-10/h8-9H,3-7,10H2,1-2H3
InChIKeyBKGHRSVCWCTADF-UHFFFAOYSA-N
XLogP0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 115778219
3-[methyl-(2-methyloxolan-3-yl)amino]propane-1-sulfonamide
CID 115778229
N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82734841
N-(3-azidopropyl)-N,2-dimethyloxolan-3-amine
CID 82749499
4-[methyl-(2-methyloxolan-3-yl)amino]butanehydrazide
CID 82753689
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
2-amino-2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]pentanenitrile
CID 82748408
N-cyclopentyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82753744
7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide
CID 82738211
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethyloxolan-3-amine
CID 82740458
N',2,2-trimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718331

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine (CID 82718003) is N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine is CC1OCCC1N(C)CCCN.
What is the InChIKey of N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
The InChIKey is BKGHRSVCWCTADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8-9(4-7-12-8)11(2)6-3-5-10/h8-9H,3-7,10H2,1-2H3.
What are the key properties of N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine?
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 82718003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).