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

C13H28N2O — CID 82735550

IUPAC1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)CCN(C)C1CCOC1C
InChIInChI=1S/C13H28N2O/c1-5-8-14-11(2)6-9-15(4)13-7-10-16-12(13)3/h11-14H,5-10H2,1-4H3
InChIKeyXHNAZXOWODEJLQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds7

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

1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine (PubChem CID 82735550) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
PubChem CID82735550
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)CCN(C)C1CCOC1C
InChIInChI=1S/C13H28N2O/c1-5-8-14-11(2)6-9-15(4)13-7-10-16-12(13)3/h11-14H,5-10H2,1-4H3
InChIKeyXHNAZXOWODEJLQ-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid
CID 82743312
N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
CID 82739333
4-[methyl-(2-methyloxolan-3-yl)amino]butan-2-ol
CID 82748524
N-ethyl-N'-methyl-N'-(2-methyloxolan-3-yl)-1-phenylpropane-1,3-diamine
CID 82743525
N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine
CID 82740348
1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine
CID 82753901
N-cyclopropyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82734841
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
CID 62561007
N-(cyclopentylmethyl)-N'-methyl-N'-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82754980
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
2-methyl-5-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)pentanenitrile
CID 82749198

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine (CID 82735550) is 1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine is CCCNC(C)CCN(C)C1CCOC1C.
What is the InChIKey of 1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine?
The InChIKey is XHNAZXOWODEJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-8-14-11(2)6-9-15(4)13-7-10-16-12(13)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine?
1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 82735550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).