3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine

C13H26N2O2 — CID 82735228

IUPAC3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine
SMILESCCCNC1CCOCC1N(C)C1CCOC1
InChIInChI=1S/C13H26N2O2/c1-3-6-14-12-5-8-17-10-13(12)15(2)11-4-7-16-9-11/h11-14H,3-10H2,1-2H3
InChIKeyLYHACPWJLZIBPP-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.86
Rot. Bonds5

About 3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine

3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine (PubChem CID 82735228) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine
PubChem CID82735228
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine
SMILESCCCNC1CCOCC1N(C)C1CCOC1
InChIInChI=1S/C13H26N2O2/c1-3-6-14-12-5-8-17-10-13(12)15(2)11-4-7-16-9-11/h11-14H,3-10H2,1-2H3
InChIKeyLYHACPWJLZIBPP-UHFFFAOYSA-N
XLogP0.86
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-N-methyl-2-N-(oxolan-3-yl)-1-N-propylcyclohexane-1,2-diamine
CID 82732254
1-N,3,3-trimethyl-1-N-(oxolan-3-yl)-2-N-propylcyclopentane-1,2-diamine
CID 82734966
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
CID 103058871
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 82743171
N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
CID 81464857
3-hexyl-N-propyloxan-4-amine
CID 106469429
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-N-propyloxan-4-amine
CID 103061012
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060094
3-[[cyclopentyl(2-methylpropyl)amino]methyl]-N-propyloxan-4-amine
CID 103060604
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine
CID 62886977

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine?
The IUPAC name of 3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine (CID 82735228) is 3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine?
The canonical SMILES for 3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine is CCCNC1CCOCC1N(C)C1CCOC1.
What is the InChIKey of 3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine?
The InChIKey is LYHACPWJLZIBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-6-14-12-5-8-17-10-13(12)15(2)11-4-7-16-9-11/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine?
3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine has a molecular weight of 242.36 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine is sourced from PubChem (CID 82735228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).