N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine

C15H31N3O — CID 79313345

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCN1CCCC1CN(C)CC1(CN)CCCOC1
InChIInChI=1S/C15H31N3O/c1-3-18-8-4-6-14(18)10-17(2)12-15(11-16)7-5-9-19-13-15/h14H,3-13,16H2,1-2H3
InChIKeyJGTHIJADNDQLHF-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.16
Rot. Bonds6

About N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine

N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine (PubChem CID 79313345) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
PubChem CID79313345
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCN1CCCC1CN(C)CC1(CN)CCCOC1
InChIInChI=1S/C15H31N3O/c1-3-18-8-4-6-14(18)10-17(2)12-15(11-16)7-5-9-19-13-15/h14H,3-13,16H2,1-2H3
InChIKeyJGTHIJADNDQLHF-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 79313272
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79319761
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 63742117
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115449103
1-[1-[[1-(aminomethyl)cyclobutyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 115449022
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
1-[1-[[1-(aminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890070
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112664669
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79304129
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 79303847
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-propylpropan-1-amine
CID 63740110
[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63747612

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine (CID 79313345) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine is CCN1CCCC1CN(C)CC1(CN)CCCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The InChIKey is JGTHIJADNDQLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-18-8-4-6-14(18)10-17(2)12-15(11-16)7-5-9-19-13-15/h14H,3-13,16H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine has a molecular weight of 269.43 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79313345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).