2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine

C15H28N2 — CID 103070194

IUPAC2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)CN1CCCC1C1CCCC1
InChIInChI=1S/C15H28N2/c1-3-16-11-13(2)12-17-10-6-9-15(17)14-7-4-5-8-14/h14-16H,2-12H2,1H3
InChIKeyCETWWGBYWNFHAE-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.81
Rot. Bonds6

About 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine

2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine (PubChem CID 103070194) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
PubChem CID103070194
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
SMILESC=C(CNCC)CN1CCCC1C1CCCC1
InChIInChI=1S/C15H28N2/c1-3-16-11-13(2)12-17-10-6-9-15(17)14-7-4-5-8-14/h14-16H,2-12H2,1H3
InChIKeyCETWWGBYWNFHAE-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N-propylprop-2-en-1-amine
CID 103071135
1-[2-(ethylaminomethyl)prop-2-enyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103197909
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]prop-2-enoic acid
CID 102727093
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid
CID 43409735
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107556037
1-[2-[(4-tert-butylphenyl)methyl]prop-2-enyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 23036208
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(ethylamino)ethanone
CID 81489176
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid;hydrochloride
CID 67010209
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]propan-1-amine
CID 61387310
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746132
2-[(2,5-dimethylpiperidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103070868
N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 62435498

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine?
The IUPAC name of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine (CID 103070194) is 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine.
What is the SMILES notation for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine?
The canonical SMILES for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine is C=C(CNCC)CN1CCCC1C1CCCC1.
What is the InChIKey of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine?
The InChIKey is CETWWGBYWNFHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-16-11-13(2)12-17-10-6-9-15(17)14-7-4-5-8-14/h14-16H,2-12H2,1H3.
What are the key properties of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine?
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 103070194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).