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

C7H14N2 — CID 167084307

IUPAC(3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine
SMILESCC1=C(C)CN(CN)C1
InChIInChI=1S/C7H14N2/c1-6-3-9(5-8)4-7(6)2/h3-5,8H2,1-2H3
InChIKeyMCQXPUGAOZVSKF-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.55
Rot. Bonds1

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

(3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine (PubChem CID 167084307) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine
PubChem CID167084307
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine
SMILESCC1=C(C)CN(CN)C1
InChIInChI=1S/C7H14N2/c1-6-3-9(5-8)4-7(6)2/h3-5,8H2,1-2H3
InChIKeyMCQXPUGAOZVSKF-UHFFFAOYSA-N
XLogP0.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine?
The IUPAC name of (3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine (CID 167084307) is (3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine.
What is the SMILES notation for (3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine?
The canonical SMILES for (3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine is CC1=C(C)CN(CN)C1.
What is the InChIKey of (3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine?
The InChIKey is MCQXPUGAOZVSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6-3-9(5-8)4-7(6)2/h3-5,8H2,1-2H3.
What are the key properties of (3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine?
(3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine has a molecular weight of 126.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine is sourced from PubChem (CID 167084307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).