N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine

C14H29N3O — CID 63741775

IUPACN,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine
SMILESCNCC1(CN2CCC(N(C)C)C2)CCCOC1
InChIInChI=1S/C14H29N3O/c1-15-10-14(6-4-8-18-12-14)11-17-7-5-13(9-17)16(2)3/h13,15H,4-12H2,1-3H3
InChIKeyXQPQULZBUSSNSE-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.64
Rot. Bonds5

About N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine

N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine (PubChem CID 63741775) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine
PubChem CID63741775
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine
SMILESCNCC1(CN2CCC(N(C)C)C2)CCCOC1
InChIInChI=1S/C14H29N3O/c1-15-10-14(6-4-8-18-12-14)11-17-7-5-13(9-17)16(2)3/h13,15H,4-12H2,1-3H3
InChIKeyXQPQULZBUSSNSE-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-[[1-(methylaminomethyl)cyclopentyl]methyl]pyrrolidin-3-amine
CID 55159336
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740313
1-[3-[(2,6-dimethylmorpholin-4-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 63740106
1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine
CID 62256682
N,N-dimethyl-1-[[4-(methylaminomethyl)oxan-4-yl]methyl]piperidin-4-amine
CID 55066091
N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
CID 63741691
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741708
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)oxolan-3-yl]-N-methylmethanamine
CID 113336168
2-[4-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
CID 107226535
N-[[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63741015
N-methyl-1-[3-[(4-methylsulfanylpiperidin-1-yl)methyl]oxolan-3-yl]methanamine
CID 114238073
2-[1-[[3-(methylaminomethyl)oxolan-3-yl]methyl]piperidin-3-yl]ethanol
CID 107228855

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine (CID 63741775) is N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine is CNCC1(CN2CCC(N(C)C)C2)CCCOC1.
What is the InChIKey of N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine?
The InChIKey is XQPQULZBUSSNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-15-10-14(6-4-8-18-12-14)11-17-7-5-13(9-17)16(2)3/h13,15H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine has a molecular weight of 255.41 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[3-(methylaminomethyl)oxan-3-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 63741775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).