N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane

C8H18N2 — CID 123374277

IUPACN,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane
SMILESCC.CNC1=C(C)CNC1
InChIInChI=1S/C6H12N2.C2H6/c1-5-3-8-4-6(5)7-2;1-2/h7-8H,3-4H2,1-2H3;1-2H3
InChIKeyQBGPJTNIOZTGIQ-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.11
Rot. Bonds1

About N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane

N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane (PubChem CID 123374277) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane.

Molecular Properties

Compound NameN,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane
PubChem CID123374277
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane
SMILESCC.CNC1=C(C)CNC1
InChIInChI=1S/C6H12N2.C2H6/c1-5-3-8-4-6(5)7-2;1-2/h7-8H,3-4H2,1-2H3;1-2H3
InChIKeyQBGPJTNIOZTGIQ-UHFFFAOYSA-N
XLogP1.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane?
The IUPAC name of N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane (CID 123374277) is N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane.
What is the SMILES notation for N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane?
The canonical SMILES for N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane is CC.CNC1=C(C)CNC1.
What is the InChIKey of N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane?
The InChIKey is QBGPJTNIOZTGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-5-3-8-4-6(5)7-2;1-2/h7-8H,3-4H2,1-2H3;1-2H3.
What are the key properties of N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane?
N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane has a molecular weight of 142.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane is sourced from PubChem (CID 123374277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).