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

C8H14N2 — CID 170237963

IUPAC3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine
SMILESC=C(CC1=NCCC1)NC
InChIInChI=1S/C8H14N2/c1-7(9-2)6-8-4-3-5-10-8/h9H,1,3-6H2,2H3
InChIKeyKLQQJZCHJQXBRM-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds3

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

3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine (PubChem CID 170237963) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine
PubChem CID170237963
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine
SMILESC=C(CC1=NCCC1)NC
InChIInChI=1S/C8H14N2/c1-7(9-2)6-8-4-3-5-10-8/h9H,1,3-6H2,2H3
InChIKeyKLQQJZCHJQXBRM-UHFFFAOYSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Z)-1-fluorobut-1-en-2-yl]imino-N-methylpentan-1-amine
CID 155352469
(1S)-N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
CID 58426938
(1R)-N-methyl-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
CID 58426953
[2-(4,5-Dihydro-3H-pyrrol-2-yl)-1-methyl-vinyl]-methyl-amine
CID 69247067
5-(1H-azirin-2-yl)pentan-2-imine
CID 88941573
(Z)-1-(butan-2-ylideneamino)-N-ethylhex-1-en-2-amine
CID 141880142
N-methylmethanamine;6-methyl-2,3,4,5-tetrahydropyridine;N-prop-1-en-2-ylpropan-1-amine
CID 142051156
2-(3,4-dihydropyridin-2-yl)-N-ethenylethanamine;ethane
CID 144487465
ethane;2-[1-(propylamino)ethenyl]-4,5-dihydro-3H-azepin-6-amine
CID 145274030
4-methylimino-N-prop-1-en-2-ylpentan-1-amine
CID 145519628
5-(cyclopentylideneamino)-N-methylpent-1-en-2-amine
CID 155130412
9-methylimino-N-propan-2-yldec-1-en-2-amine
CID 155148440

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine?
The IUPAC name of 3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine (CID 170237963) is 3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine is C=C(CC1=NCCC1)NC.
What is the InChIKey of 3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine?
The InChIKey is KLQQJZCHJQXBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7(9-2)6-8-4-3-5-10-8/h9H,1,3-6H2,2H3.
What are the key properties of 3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine?
3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyrrol-5-yl)-N-methylprop-1-en-2-amine is sourced from PubChem (CID 170237963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).