3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine

C12H26N2 — CID 61386205

IUPAC3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCN1CCCC1CC
InChIInChI=1S/C12H26N2/c1-3-8-13-9-6-11-14-10-5-7-12(14)4-2/h12-13H,3-11H2,1-2H3
InChIKeyDKRHPIQVTPXJRA-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds7

About 3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine

3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine (PubChem CID 61386205) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine
PubChem CID61386205
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCN1CCCC1CC
InChIInChI=1S/C12H26N2/c1-3-8-13-9-6-11-14-10-5-7-12(14)4-2/h12-13H,3-11H2,1-2H3
InChIKeyDKRHPIQVTPXJRA-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-undecylpyrrolidine
CID 171569857
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157
N-ethyl-4-(2-ethylazepan-1-yl)butan-1-amine
CID 104692289
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-propylpropan-1-amine
CID 55070651
5-(2-ethylpyrrolidin-1-yl)-N-methylpentan-1-amine
CID 62438607
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine
CID 113441998
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575588
N-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methoxypropan-1-amine
CID 62575422
1-dodecyl-2-ethylpiperidine
CID 171569899

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine (CID 61386205) is 3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine is CCCNCCCN1CCCC1CC.
What is the InChIKey of 3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine?
The InChIKey is DKRHPIQVTPXJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-8-13-9-6-11-14-10-5-7-12(14)4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine?
3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidin-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 61386205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).