N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine

C12H20N2 — CID 142185544

IUPACN-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine
SMILESC=CNC(=C)CC1N=C(C)CC1(C)C
InChIInChI=1S/C12H20N2/c1-6-13-9(2)7-11-12(4,5)8-10(3)14-11/h6,11,13H,1-2,7-8H2,3-5H3
InChIKeyKJGKZVZDBDAYGU-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.88
Rot. Bonds4

About N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine

N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine (PubChem CID 142185544) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine
PubChem CID142185544
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine
SMILESC=CNC(=C)CC1N=C(C)CC1(C)C
InChIInChI=1S/C12H20N2/c1-6-13-9(2)7-11-12(4,5)8-10(3)14-11/h6,11,13H,1-2,7-8H2,3-5H3
InChIKeyKJGKZVZDBDAYGU-UHFFFAOYSA-N
XLogP2.88
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine?
The IUPAC name of N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine (CID 142185544) is N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine.
What is the SMILES notation for N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine?
The canonical SMILES for N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine is C=CNC(=C)CC1N=C(C)CC1(C)C.
What is the InChIKey of N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine?
The InChIKey is KJGKZVZDBDAYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-6-13-9(2)7-11-12(4,5)8-10(3)14-11/h6,11,13H,1-2,7-8H2,3-5H3.
What are the key properties of N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine?
N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine has a molecular weight of 192.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-(3,3,5-trimethyl-2,4-dihydropyrrol-2-yl)prop-1-en-2-amine is sourced from PubChem (CID 142185544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).