3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine

C15H31N3O — CID 62886977

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1N1CCCC1CN(C)C
InChIInChI=1S/C15H31N3O/c1-4-8-16-14-7-10-19-12-15(14)18-9-5-6-13(18)11-17(2)3/h13-16H,4-12H2,1-3H3
InChIKeyBXPWDLLYLOBTSH-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds6

About 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine (PubChem CID 62886977) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine
PubChem CID62886977
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1N1CCCC1CN(C)C
InChIInChI=1S/C15H31N3O/c1-4-8-16-14-7-10-19-12-15(14)18-9-5-6-13(18)11-17(2)3/h13-16H,4-12H2,1-3H3
InChIKeyBXPWDLLYLOBTSH-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine
CID 113441647
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N-ethyloxan-4-amine
CID 103059901
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine
CID 83227452
N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
CID 81464857
3-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-N-propyloxan-4-amine
CID 103060094
N-propyl-2-(2-propylpiperidin-1-yl)cyclohexan-1-amine
CID 83053052
2-(2-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 104689600
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,4-dimethylcyclohexan-1-amine
CID 55127469
3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine
CID 103532098
N-propyl-2-(2-propylpiperidin-1-yl)cycloheptan-1-amine
CID 83052554
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-N-propyloxolan-3-amine
CID 79320006

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine (CID 62886977) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine is CCCNC1CCOCC1N1CCCC1CN(C)C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine?
The InChIKey is BXPWDLLYLOBTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-8-16-14-7-10-19-12-15(14)18-9-5-6-13(18)11-17(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine has a molecular weight of 269.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine is sourced from PubChem (CID 62886977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).