1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine

C8H15N3 — CID 174115955

IUPAC1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine
SMILESCC1(C)CN=C(C(N)=CN)C1
InChIInChI=1S/C8H15N3/c1-8(2)3-7(11-5-8)6(10)4-9/h4H,3,5,9-10H2,1-2H3
InChIKeyHRSKNHYLCSGFIC-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.62
Rot. Bonds1

About 1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine

1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine (PubChem CID 174115955) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine.

Molecular Properties

Compound Name1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine
PubChem CID174115955
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine
SMILESCC1(C)CN=C(C(N)=CN)C1
InChIInChI=1S/C8H15N3/c1-8(2)3-7(11-5-8)6(10)4-9/h4H,3,5,9-10H2,1-2H3
InChIKeyHRSKNHYLCSGFIC-UHFFFAOYSA-N
XLogP0.62
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine?
The IUPAC name of 1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine (CID 174115955) is 1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine.
What is the SMILES notation for 1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine?
The canonical SMILES for 1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine is CC1(C)CN=C(C(N)=CN)C1.
What is the InChIKey of 1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine?
The InChIKey is HRSKNHYLCSGFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(2)3-7(11-5-8)6(10)4-9/h4H,3,5,9-10H2,1-2H3.
What are the key properties of 1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine?
1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine has a molecular weight of 153.23 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethene-1,2-diamine is sourced from PubChem (CID 174115955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).