2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine

C8H14N2 — CID 90064660

IUPAC2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine
SMILESCC1(C)CCC(C=CN)=N1
InChIInChI=1S/C8H14N2/c1-8(2)5-3-7(10-8)4-6-9/h4,6H,3,5,9H2,1-2H3
InChIKeyOAKISFQHEITREA-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.47
Rot. Bonds1

About 2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine

2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine (PubChem CID 90064660) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine.

Molecular Properties

Compound Name2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine
PubChem CID90064660
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine
SMILESCC1(C)CCC(C=CN)=N1
InChIInChI=1S/C8H14N2/c1-8(2)5-3-7(10-8)4-6-9/h4,6H,3,5,9H2,1-2H3
InChIKeyOAKISFQHEITREA-UHFFFAOYSA-N
XLogP1.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine
CID 70629717
3-N-ethenyl-5-methylhex-1-ene-3,4-diimine
CID 169172946
(Z)-2-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine
CID 169181962
(Z)-2-(4-ethyl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine
CID 169182249
(Z)-2-(4-propan-2-yl-2,3,4,5-tetrahydropyridin-6-yl)ethenamine
CID 169182782
5-Methyl-3-methyliminohex-1-en-1-amine
CID 173989377
3-Ethylimino-5-methylhex-1-en-1-amine
CID 173989404
1-(3,3-Dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine
CID 174115955
(Z)-2-(3,4-dihydro-2H-pyrrol-5-yl)ethenamine
CID 142619217
2-(3H-pyrrol-2-yl)propan-2-amine
CID 164048084
(Z)-5-methyl-3-methyliminohex-1-en-1-amine
CID 166900836

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine?
The IUPAC name of 2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine (CID 90064660) is 2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine.
What is the SMILES notation for 2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine?
The canonical SMILES for 2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine is CC1(C)CCC(C=CN)=N1.
What is the InChIKey of 2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine?
The InChIKey is OAKISFQHEITREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2)5-3-7(10-8)4-6-9/h4,6H,3,5,9H2,1-2H3.
What are the key properties of 2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine?
2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine has a molecular weight of 138.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-3,4-dihydropyrrol-2-yl)ethenamine is sourced from PubChem (CID 90064660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).