3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine

C8H16N2 — CID 19049123

IUPAC3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCCC1N=C(N)CC1C
InChIInChI=1S/C8H16N2/c1-3-4-7-6(2)5-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)
InChIKeyTYAICJLSMGBRPT-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.55
Rot. Bonds2

About 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine

3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 19049123) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID19049123
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCCCC1N=C(N)CC1C
InChIInChI=1S/C8H16N2/c1-3-4-7-6(2)5-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10)
InChIKeyTYAICJLSMGBRPT-UHFFFAOYSA-N
XLogP1.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine (CID 19049123) is 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine is CCCC1N=C(N)CC1C.
What is the InChIKey of 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is TYAICJLSMGBRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-7-6(2)5-8(9)10-7/h6-7H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine?
3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 140.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 19049123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).