4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine

C9H16N2 — CID 68983224

IUPAC4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine
SMILESCC(=CC1=NCCC1)CCN
InChIInChI=1S/C9H16N2/c1-8(4-5-10)7-9-3-2-6-11-9/h7H,2-6,10H2,1H3
InChIKeyLQVDKMNCRMHYAH-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.52
Rot. Bonds3

About 4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine

4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine (PubChem CID 68983224) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine
PubChem CID68983224
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine
SMILESCC(=CC1=NCCC1)CCN
InChIInChI=1S/C9H16N2/c1-8(4-5-10)7-9-3-2-6-11-9/h7H,2-6,10H2,1H3
InChIKeyLQVDKMNCRMHYAH-UHFFFAOYSA-N
XLogP1.52
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethenyl-4-ethylidene-2,3-dihydropyrrole
CID 90829219
4-(3-diazo-5-methyl-2H-pyridin-6-yl)butan-1-amine
CID 53678689
5-(2,5-Dimethylbenzimidazol-2-yl)pentan-1-amine
CID 54088930
(4-methyl-2H-pyrrol-5-yl)methanamine
CID 57746114
(E)-3-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylprop-2-en-1-amine
CID 69247064
2-(2,5-dimethyl-2H-pyrrol-3-yl)ethanamine
CID 70311850
(3-butylidene-4H-pyridin-2-yl)methanamine
CID 70596861
(4Z)-5-[(Z)-prop-1-enyl]-4-propylidene-2,3-dihydropyrrole
CID 91278108
(Z)-3-ethyl-4-methyliminonon-5-en-1-amine
CID 91420602
N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine
CID 121442677
4-N,6-dimethylhept-5-ene-3,4-diimine
CID 123398859
7-(1-Amino-3-methylbutyl)iminooct-5-en-1-amine
CID 123446462

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine?
The IUPAC name of 4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine (CID 68983224) is 4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine is CC(=CC1=NCCC1)CCN.
What is the InChIKey of 4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine?
The InChIKey is LQVDKMNCRMHYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(4-5-10)7-9-3-2-6-11-9/h7H,2-6,10H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine?
4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 68983224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).