3,4,5-trimethyl-2,3-dihydropyrrol-4-amine

C7H14N2 — CID 89035909

IUPAC3,4,5-trimethyl-2,3-dihydropyrrol-4-amine
SMILESCC1=NCC(C)C1(C)N
InChIInChI=1S/C7H14N2/c1-5-4-9-6(2)7(5,3)8/h5H,4,8H2,1-3H3
InChIKeySFXZIVKUZUPSGX-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.81
Rot. Bonds

About 3,4,5-trimethyl-2,3-dihydropyrrol-4-amine

3,4,5-trimethyl-2,3-dihydropyrrol-4-amine (PubChem CID 89035909) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 3,4,5-trimethyl-2,3-dihydropyrrol-4-amine.

Molecular Properties

Compound Name3,4,5-trimethyl-2,3-dihydropyrrol-4-amine
PubChem CID89035909
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name3,4,5-trimethyl-2,3-dihydropyrrol-4-amine
SMILESCC1=NCC(C)C1(C)N
InChIInChI=1S/C7H14N2/c1-5-4-9-6(2)7(5,3)8/h5H,4,8H2,1-3H3
InChIKeySFXZIVKUZUPSGX-UHFFFAOYSA-N
XLogP0.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-2,3-dihydropyrrol-4-amine?
The IUPAC name of 3,4,5-trimethyl-2,3-dihydropyrrol-4-amine (CID 89035909) is 3,4,5-trimethyl-2,3-dihydropyrrol-4-amine.
What is the SMILES notation for 3,4,5-trimethyl-2,3-dihydropyrrol-4-amine?
The canonical SMILES for 3,4,5-trimethyl-2,3-dihydropyrrol-4-amine is CC1=NCC(C)C1(C)N.
What is the InChIKey of 3,4,5-trimethyl-2,3-dihydropyrrol-4-amine?
The InChIKey is SFXZIVKUZUPSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-4-9-6(2)7(5,3)8/h5H,4,8H2,1-3H3.
What are the key properties of 3,4,5-trimethyl-2,3-dihydropyrrol-4-amine?
3,4,5-trimethyl-2,3-dihydropyrrol-4-amine has a molecular weight of 126.20 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-2,3-dihydropyrrol-4-amine is sourced from PubChem (CID 89035909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).