2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine

C9H18N2 — CID 117266337

IUPAC2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine
SMILESC=C(CN)C1CCCN1CC
InChIInChI=1S/C9H18N2/c1-3-11-6-4-5-9(11)8(2)7-10/h9H,2-7,10H2,1H3
InChIKeyQFULGMPQPWXKFL-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.99
Rot. Bonds3

About 2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine

2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine (PubChem CID 117266337) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine
PubChem CID117266337
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine
SMILESC=C(CN)C1CCCN1CC
InChIInChI=1S/C9H18N2/c1-3-11-6-4-5-9(11)8(2)7-10/h9H,2-7,10H2,1H3
InChIKeyQFULGMPQPWXKFL-UHFFFAOYSA-N
XLogP0.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.99
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

(5R)-1,2-dimethyl-5-prop-1-en-2-ylpyrrolidine
CID 134855165
3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine
CID 168883648
(2R,3R)-N,1-dibutyl-2-methyl-4-methylidenepyrrolidin-3-amine
CID 10513351
(2R,3R)-N,1-dihexyl-2-methyl-4-methylidenepyrrolidin-3-amine
CID 10826636
(2S)-2-prop-1-en-2-ylpyrrolidine
CID 55299004
1-Methyl-2-prop-1-en-2-ylpyrrolidine
CID 58128415
2-(Prop-1-en-2-yl)pyrrolidine
CID 59400943
1-Propan-2-yl-2-prop-1-en-2-ylpyrrolidine
CID 67564463
(2R)-2-methyl-4-methylidene-1-propan-2-ylpyrrolidine
CID 67992837
2-Methyl-4-methylidene-1-propan-2-ylpyrrolidine
CID 77393669
(3S)-1-N,1-N-diethyl-4-methylidenehexane-1,3-diamine
CID 88995207
(2R)-2-ethyl-1-methyl-4-methylidenepyrrolidine
CID 89010879

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine?
The IUPAC name of 2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine (CID 117266337) is 2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine?
The canonical SMILES for 2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine is C=C(CN)C1CCCN1CC.
What is the InChIKey of 2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine?
The InChIKey is QFULGMPQPWXKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-11-6-4-5-9(11)8(2)7-10/h9H,2-7,10H2,1H3.
What are the key properties of 2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine?
2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 117266337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).