(E)-2-(1-methylpyrrolidin-2-yl)ethenamine

C7H14N2 — CID 69076535

IUPAC(E)-2-(1-methylpyrrolidin-2-yl)ethenamine
SMILESCN1CCCC1/C=C/N
InChIInChI=1S/C7H14N2/c1-9-6-2-3-7(9)4-5-8/h4-5,7H,2-3,6,8H2,1H3/b5-4+
InChIKeyKVLMLORSQXFBFY-SNAWJCMRSA-N
MW126.20 g/mol
LogP0.55
Rot. Bonds1

About (E)-2-(1-methylpyrrolidin-2-yl)ethenamine

(E)-2-(1-methylpyrrolidin-2-yl)ethenamine (PubChem CID 69076535) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-2-(1-methylpyrrolidin-2-yl)ethenamine.

Molecular Properties

Compound Name(E)-2-(1-methylpyrrolidin-2-yl)ethenamine
PubChem CID69076535
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E)-2-(1-methylpyrrolidin-2-yl)ethenamine
SMILESCN1CCCC1/C=C/N
InChIInChI=1S/C7H14N2/c1-9-6-2-3-7(9)4-5-8/h4-5,7H,2-3,6,8H2,1H3/b5-4+
InChIKeyKVLMLORSQXFBFY-SNAWJCMRSA-N
XLogP0.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(1-methylpyrrolidin-2-yl)ethenamine?
The IUPAC name of (E)-2-(1-methylpyrrolidin-2-yl)ethenamine (CID 69076535) is (E)-2-(1-methylpyrrolidin-2-yl)ethenamine.
What is the SMILES notation for (E)-2-(1-methylpyrrolidin-2-yl)ethenamine?
The canonical SMILES for (E)-2-(1-methylpyrrolidin-2-yl)ethenamine is CN1CCCC1/C=C/N.
What is the InChIKey of (E)-2-(1-methylpyrrolidin-2-yl)ethenamine?
The InChIKey is KVLMLORSQXFBFY-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-6-2-3-7(9)4-5-8/h4-5,7H,2-3,6,8H2,1H3/b5-4+.
What are the key properties of (E)-2-(1-methylpyrrolidin-2-yl)ethenamine?
(E)-2-(1-methylpyrrolidin-2-yl)ethenamine has a molecular weight of 126.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1-methylpyrrolidin-2-yl)ethenamine is sourced from PubChem (CID 69076535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).