N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine

C12H26N2 — CID 12522073

IUPACN-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCCC1CC(CN(CC)CC)CN1
InChIInChI=1S/C12H26N2/c1-4-7-12-8-11(9-13-12)10-14(5-2)6-3/h11-13H,4-10H2,1-3H3
InChIKeyKATGGXWCHTZESQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds6

About N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine

N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 12522073) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID12522073
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCCC1CC(CN(CC)CC)CN1
InChIInChI=1S/C12H26N2/c1-4-7-12-8-11(9-13-12)10-14(5-2)6-3/h11-13H,4-10H2,1-3H3
InChIKeyKATGGXWCHTZESQ-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Octamylamine
CID 10406
Iproheptine
CID 19917
3-(1-Methylpyrrolidin-2-yl)piperidine
CID 219458
2-(2-Methylpropyl)pyrrolidine
CID 3613277
2-Sec-butylpyrrolidine
CID 3563411
2-(2,2-Dimethylpropyl)pyrrolidine
CID 4007480
2-Isobutylpyrrolidine hydrochloride
CID 17749743
Methyl(2-(1-methylpyrrolidin-2-yl)ethyl)amine
CID 20063893
2-(3-Methylbutyl)pyrrolidine
CID 21061949
2-(2-Ethylhexyl)pyrrolidine
CID 22627827
3-Isopentylpyrrolidine
CID 53409754
4-(1-Methylpyrrolidin-2-yl)piperidine
CID 66272593

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine (CID 12522073) is N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine is CCCC1CC(CN(CC)CC)CN1.
What is the InChIKey of N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is KATGGXWCHTZESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-7-12-8-11(9-13-12)10-14(5-2)6-3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine?
N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-propylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 12522073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).