N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine

C13H27N3 — CID 79699728

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESCCN1CCCC1CNCC1CCNCC1
InChIInChI=1S/C13H27N3/c1-2-16-9-3-4-13(16)11-15-10-12-5-7-14-8-6-12/h12-15H,2-11H2,1H3
InChIKeyMCIOKIGMQDGVPH-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.06
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 79699728) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID79699728
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESCCN1CCCC1CNCC1CCNCC1
InChIInChI=1S/C13H27N3/c1-2-16-9-3-4-13(16)11-15-10-12-5-7-14-8-6-12/h12-15H,2-11H2,1H3
InChIKeyMCIOKIGMQDGVPH-UHFFFAOYSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107131227
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
CID 79725125
methyl 2-[(1-ethylpyrrolidin-2-yl)methylamino]acetate
CID 43180071
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041
3-[(1-ethylpyrrolidin-2-yl)methylamino]propane-1,2-diol
CID 76891505
N-[(1-ethylpyrrolidin-2-yl)methyl]pentan-1-amine
CID 43180030
N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine
CID 142254760
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 79313995
N-cyclopropyl-N-ethyl-2-[(1-ethylpyrrolidin-2-yl)methylamino]acetamide
CID 54957535
3-[(1-ethylpyrrolidin-2-yl)methylamino]propanamide
CID 43090000
1-(1-ethylpyrrolidin-2-yl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
CID 82835069

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine (CID 79699728) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine is CCN1CCCC1CNCC1CCNCC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is MCIOKIGMQDGVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-16-9-3-4-13(16)11-15-10-12-5-7-14-8-6-12/h12-15H,2-11H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 225.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 79699728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).