ethane;1-methyl-2,3-dihydropyrrol-4-amine

C7H16N2 — CID 142426585

IUPACethane;1-methyl-2,3-dihydropyrrol-4-amine
SMILESCC.CN1C=C(N)CC1
InChIInChI=1S/C5H10N2.C2H6/c1-7-3-2-5(6)4-7;1-2/h4H,2-3,6H2,1H3;1-2H3
InChIKeySPIHOQIMJCGULR-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.15
Rot. Bonds

About ethane;1-methyl-2,3-dihydropyrrol-4-amine

ethane;1-methyl-2,3-dihydropyrrol-4-amine (PubChem CID 142426585) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is ethane;1-methyl-2,3-dihydropyrrol-4-amine.

Molecular Properties

Compound Nameethane;1-methyl-2,3-dihydropyrrol-4-amine
PubChem CID142426585
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Nameethane;1-methyl-2,3-dihydropyrrol-4-amine
SMILESCC.CN1C=C(N)CC1
InChIInChI=1S/C5H10N2.C2H6/c1-7-3-2-5(6)4-7;1-2/h4H,2-3,6H2,1H3;1-2H3
InChIKeySPIHOQIMJCGULR-UHFFFAOYSA-N
XLogP1.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2,3-dihydropyrrol-4-amine?
The IUPAC name of ethane;1-methyl-2,3-dihydropyrrol-4-amine (CID 142426585) is ethane;1-methyl-2,3-dihydropyrrol-4-amine.
What is the SMILES notation for ethane;1-methyl-2,3-dihydropyrrol-4-amine?
The canonical SMILES for ethane;1-methyl-2,3-dihydropyrrol-4-amine is CC.CN1C=C(N)CC1.
What is the InChIKey of ethane;1-methyl-2,3-dihydropyrrol-4-amine?
The InChIKey is SPIHOQIMJCGULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.C2H6/c1-7-3-2-5(6)4-7;1-2/h4H,2-3,6H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-2,3-dihydropyrrol-4-amine?
ethane;1-methyl-2,3-dihydropyrrol-4-amine has a molecular weight of 128.22 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2,3-dihydropyrrol-4-amine is sourced from PubChem (CID 142426585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).