(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine

C8H16N2 — CID 143401669

IUPAC(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine
SMILESC=C(C)[C@@H]1CCCN1NC
InChIInChI=1S/C8H16N2/c1-7(2)8-5-4-6-10(8)9-3/h8-9H,1,4-6H2,2-3H3/t8-/m0/s1
InChIKeyYWFRDYNPMHDXKL-QMMMGPOBSA-N
MW140.23 g/mol
LogP1.16
Rot. Bonds2

About (2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine

(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine (PubChem CID 143401669) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine
PubChem CID143401669
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine
SMILESC=C(C)[C@@H]1CCCN1NC
InChIInChI=1S/C8H16N2/c1-7(2)8-5-4-6-10(8)9-3/h8-9H,1,4-6H2,2-3H3/t8-/m0/s1
InChIKeyYWFRDYNPMHDXKL-QMMMGPOBSA-N
XLogP1.16
TPSA15.27 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 ≤ 51.16
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

2,4-Dipentyl-1,3-dihydropyrazole
CID 69325833
(2R)-2-methyl-4-methylidenepyrrolidin-1-amine
CID 89010672
1-Methyl-5-prop-1-en-2-ylpyrazolidine
CID 123678186
2-(3-Methylbut-3-enyl)pyrrolidin-1-amine
CID 123691833
1-Methyl-2-[4-(pyrrolidin-1-ylmethyl)pent-4-enyl]hydrazine
CID 138721194
formaldehyde;(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine
CID 143401668
(2E,5Z)-6-ethyl-3-(1-methylpyrazolidin-3-yl)nona-2,5-diene-1,4-diamine
CID 146579877
3-methyl-4,5,6,7-tetrahydro-3aH-pyrrolo[1,2-b]pyrazol-7-ium-1-ide
CID 163531393
3-Hexyl-2-methyl-4-pentyl-1,3-dihydropyrazole
CID 117060718
2-(1-Methylpyrrolidin-2-yl)prop-2-en-1-amine
CID 117266334
2-(1-Ethylpyrrolidin-2-yl)prop-2-en-1-amine
CID 117266337
2-(1-Propan-2-ylpyrrolidin-2-yl)prop-2-en-1-amine
CID 117266338

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine?
The IUPAC name of (2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine (CID 143401669) is (2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine.
What is the SMILES notation for (2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine?
The canonical SMILES for (2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine is C=C(C)[C@@H]1CCCN1NC.
What is the InChIKey of (2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine?
The InChIKey is YWFRDYNPMHDXKL-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)8-5-4-6-10(8)9-3/h8-9H,1,4-6H2,2-3H3/t8-/m0/s1.
What are the key properties of (2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine?
(2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine has a molecular weight of 140.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-prop-1-en-2-ylpyrrolidin-1-amine is sourced from PubChem (CID 143401669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).