4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine

C15H31N3O — CID 79320006

IUPAC4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN(C)CC1CCCN1C
InChIInChI=1S/C15H31N3O/c1-4-7-16-15-12-19-11-13(15)9-17(2)10-14-6-5-8-18(14)3/h13-16H,4-12H2,1-3H3
InChIKeyZPXUUTKRHWTERM-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds7

About 4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine

4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine (PubChem CID 79320006) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine
PubChem CID79320006
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CN(C)CC1CCCN1C
InChIInChI=1S/C15H31N3O/c1-4-7-16-15-12-19-11-13(15)9-17(2)10-14-6-5-8-18(14)3/h13-16H,4-12H2,1-3H3
InChIKeyZPXUUTKRHWTERM-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-N-propylcycloheptane-1,2-diamine
CID 79313962
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propylethane-1,2-diamine
CID 79314040
2-N,4-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylcyclohexane-1,2-diamine
CID 79313888
4-[[cyclopentyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66254473
4-(diethylaminomethyl)-N-propyloxolan-3-amine
CID 66256952
N-methyl-1-(1-methylpyrrolidin-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 79313818
4-[[cyclopropyl(ethyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256381
N,4-diethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79310261
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060094
4-[[methyl-(3-methylcyclohexyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256771
N-propyl-4-[(4-propylazepan-1-yl)methyl]oxolan-3-amine
CID 66255259
1-N,2,2-trimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 79313405

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine (CID 79320006) is 4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine is CCCNC1COCC1CN(C)CC1CCCN1C.
What is the InChIKey of 4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine?
The InChIKey is ZPXUUTKRHWTERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-7-16-15-12-19-11-13(15)9-17(2)10-14-6-5-8-18(14)3/h13-16H,4-12H2,1-3H3.
What are the key properties of 4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine?
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 79320006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).