N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine

C15H31N3 — CID 83074027

IUPACN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCCC1(CN(C)CC2CCN(C)CC2)CCCN1
InChIInChI=1S/C15H31N3/c1-4-15(8-5-9-16-15)13-18(3)12-14-6-10-17(2)11-7-14/h14,16H,4-13H2,1-3H3
InChIKeySFRCSFCGAUQMFI-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds5

About N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine

N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 83074027) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID83074027
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCCC1(CN(C)CC2CCN(C)CC2)CCCN1
InChIInChI=1S/C15H31N3/c1-4-15(8-5-9-16-15)13-18(3)12-14-6-10-17(2)11-7-14/h14,16H,4-13H2,1-3H3
InChIKeySFRCSFCGAUQMFI-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 83073465
1-cyclobutyl-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 83073335
4-[2-(2-ethylpyrrolidin-2-yl)ethyl]-1-methylpiperidine
CID 117271420
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274170
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 83073468
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N-[(2-ethylpyrrolidin-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 83073009
N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-methylethanamine
CID 83073163
[2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103176
1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65460030
[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115243609
[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
CID 115103547

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine (CID 83074027) is N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine is CCC1(CN(C)CC2CCN(C)CC2)CCCN1.
What is the InChIKey of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is SFRCSFCGAUQMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-15(8-5-9-16-15)13-18(3)12-14-6-10-17(2)11-7-14/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 83074027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).