N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine

C15H31N3O — CID 62889038

IUPACN,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine
SMILESCNCC1(CN2CCCC2CN(C)C)CCOCC1
InChIInChI=1S/C15H31N3O/c1-16-12-15(6-9-19-10-7-15)13-18-8-4-5-14(18)11-17(2)3/h14,16H,4-13H2,1-3H3
InChIKeyQTLCXHRQTYBUQZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds6

About N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine

N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine (PubChem CID 62889038) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine
PubChem CID62889038
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine
SMILESCNCC1(CN2CCCC2CN(C)C)CCOCC1
InChIInChI=1S/C15H31N3O/c1-16-12-15(6-9-19-10-7-15)13-18-8-4-5-14(18)11-17(2)3/h14,16H,4-13H2,1-3H3
InChIKeyQTLCXHRQTYBUQZ-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-2-yl]methanamine
CID 62888681
N-[[4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62889036
1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392836
N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 83061995
1-[4-[(2,3-dimethylpiperidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392017
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 79313272
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]oxane-4-carboxylic acid
CID 62888173
N-[[1-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 62888333
N,N-dimethyl-1-[[4-(methylaminomethyl)oxan-4-yl]methyl]piperidin-4-amine
CID 55066091
1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115449022
1-[1-[[1-(aminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890070
1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 62392564

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine (CID 62889038) is N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine is CNCC1(CN2CCCC2CN(C)C)CCOCC1.
What is the InChIKey of N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is QTLCXHRQTYBUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-16-12-15(6-9-19-10-7-15)13-18-8-4-5-14(18)11-17(2)3/h14,16H,4-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine?
N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[[4-(methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 62889038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).