4-(2,5-dihydropyrrol-1-yl)butan-2-amine

C8H16N2 — CID 65417497

IUPAC4-(2,5-dihydropyrrol-1-yl)butan-2-amine
SMILESCC(N)CCN1CC=CC1
InChIInChI=1S/C8H16N2/c1-8(9)4-7-10-5-2-3-6-10/h2-3,8H,4-7,9H2,1H3
InChIKeyZYJZPNDWPSSDAM-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.60
Rot. Bonds3

About 4-(2,5-dihydropyrrol-1-yl)butan-2-amine

4-(2,5-dihydropyrrol-1-yl)butan-2-amine (PubChem CID 65417497) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-(2,5-dihydropyrrol-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,5-dihydropyrrol-1-yl)butan-2-amine
PubChem CID65417497
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-(2,5-dihydropyrrol-1-yl)butan-2-amine
SMILESCC(N)CCN1CC=CC1
InChIInChI=1S/C8H16N2/c1-8(9)4-7-10-5-2-3-6-10/h2-3,8H,4-7,9H2,1H3
InChIKeyZYJZPNDWPSSDAM-UHFFFAOYSA-N
XLogP0.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(3,6-dihydro-2H-pyridin-1-yl)pentan-2-amine
CID 114410622
4-(3-ethylazetidin-1-yl)butan-2-amine
CID 79677546
4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine
CID 57373865
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315085
4-(4,4-diethylpiperidin-1-yl)butan-2-amine
CID 63160822
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 130765996
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
4-(3-methyl-2H-imidazol-1-yl)butan-2-amine;hydrochloride
CID 174924847
(5R)-hexane-2,5-diamine
CID 144618459
4-(2,5-dihydropyrrol-1-yl)-2-methylbutan-2-amine
CID 131182970

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydropyrrol-1-yl)butan-2-amine?
The IUPAC name of 4-(2,5-dihydropyrrol-1-yl)butan-2-amine (CID 65417497) is 4-(2,5-dihydropyrrol-1-yl)butan-2-amine.
What is the SMILES notation for 4-(2,5-dihydropyrrol-1-yl)butan-2-amine?
The canonical SMILES for 4-(2,5-dihydropyrrol-1-yl)butan-2-amine is CC(N)CCN1CC=CC1.
What is the InChIKey of 4-(2,5-dihydropyrrol-1-yl)butan-2-amine?
The InChIKey is ZYJZPNDWPSSDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(9)4-7-10-5-2-3-6-10/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 4-(2,5-dihydropyrrol-1-yl)butan-2-amine?
4-(2,5-dihydropyrrol-1-yl)butan-2-amine has a molecular weight of 140.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyrrol-1-yl)butan-2-amine is sourced from PubChem (CID 65417497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).