N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine

C12H22N2 — CID 58493117

IUPACN,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine
SMILESC=C(CC1CCN(C(=C)C)C1)N(C)C
InChIInChI=1S/C12H22N2/c1-10(2)14-7-6-12(9-14)8-11(3)13(4)5/h12H,1,3,6-9H2,2,4-5H3
InChIKeyRCRQCKAAZAXCDM-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.31
Rot. Bonds4

About N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine

N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine (PubChem CID 58493117) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine
PubChem CID58493117
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine
SMILESC=C(CC1CCN(C(=C)C)C1)N(C)C
InChIInChI=1S/C12H22N2/c1-10(2)14-7-6-12(9-14)8-11(3)13(4)5/h12H,1,3,6-9H2,2,4-5H3
InChIKeyRCRQCKAAZAXCDM-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine?
The IUPAC name of N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine (CID 58493117) is N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine.
What is the SMILES notation for N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine?
The canonical SMILES for N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine is C=C(CC1CCN(C(=C)C)C1)N(C)C.
What is the InChIKey of N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine?
The InChIKey is RCRQCKAAZAXCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)14-7-6-12(9-14)8-11(3)13(4)5/h12H,1,3,6-9H2,2,4-5H3.
What are the key properties of N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine?
N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine has a molecular weight of 194.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine is sourced from PubChem (CID 58493117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).