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

C13H27N3 — CID 79313995

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine
SMILESCCN1CCCC1CN(C)C1CCNCC1
InChIInChI=1S/C13H27N3/c1-3-16-10-4-5-13(16)11-15(2)12-6-8-14-9-7-12/h12-14H,3-11H2,1-2H3
InChIKeyGOLCMFROYSBDTD-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds4

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine (PubChem CID 79313995) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine
PubChem CID79313995
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine
SMILESCCN1CCCC1CN(C)C1CCNCC1
InChIInChI=1S/C13H27N3/c1-3-16-10-4-5-13(16)11-15(2)12-6-8-14-9-7-12/h12-14H,3-11H2,1-2H3
InChIKeyGOLCMFROYSBDTD-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpiperidin-3-amine
CID 79313602
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide
CID 79319252
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]cyclopentan-1-one
CID 79642708
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidin-4-amine
CID 115118418
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 79311349
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79699728
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]cyclopentan-1-one
CID 79319987
2-[(2R)-2-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554925
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79314252
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79304129
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79303418
N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
CID 79725125

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine (CID 79313995) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine is CCN1CCCC1CN(C)C1CCNCC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is GOLCMFROYSBDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-16-10-4-5-13(16)11-15(2)12-6-8-14-9-7-12/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 225.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 79313995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).