(2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine

C19H31N3 — CID 129330781

IUPAC(2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine
SMILESCC(C)=CCC[C@H](C)NC[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C19H31N3/c1-15(2)7-5-8-16(3)21-14-18-10-12-22(4)19(18)17-9-6-11-20-13-17/h6-7,9,11,13,16,18-19,21H,5,8,10,12,14H2,1-4H3/t16-,18-,19-/m0/s1
InChIKeyBGCGGGJHKWUTQB-WDSOQIARSA-N
MW301.48 g/mol
LogP3.80
Rot. Bonds7

About (2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine

(2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine (PubChem CID 129330781) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is (2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine.

Molecular Properties

Compound Name(2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine
PubChem CID129330781
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name(2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine
SMILESCC(C)=CCC[C@H](C)NC[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C19H31N3/c1-15(2)7-5-8-16(3)21-14-18-10-12-22(4)19(18)17-9-6-11-20-13-17/h6-7,9,11,13,16,18-19,21H,5,8,10,12,14H2,1-4H3/t16-,18-,19-/m0/s1
InChIKeyBGCGGGJHKWUTQB-WDSOQIARSA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-(2-methoxyphenyl)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propan-2-amine
CID 129332905
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
1-cyclohexyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]methanamine
CID 128997853
2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide
CID 128993715
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-(methylsulfamoyl)methanamine
CID 167757288
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 129006338
2-(cyclopropylmethoxy)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide
CID 128970530
1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-[(2R)-2-methylsulfanylpropyl]urea
CID 129335009
[5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol
CID 129004287
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 129000980
3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 10330622
N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997727

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine?
The IUPAC name of (2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine (CID 129330781) is (2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine.
What is the SMILES notation for (2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine?
The canonical SMILES for (2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine is CC(C)=CCC[C@H](C)NC[C@@H]1CCN(C)[C@H]1c1cccnc1.
What is the InChIKey of (2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine?
The InChIKey is BGCGGGJHKWUTQB-WDSOQIARSA-N. The full InChI is InChI=1S/C19H31N3/c1-15(2)7-5-8-16(3)21-14-18-10-12-22(4)19(18)17-9-6-11-20-13-17/h6-7,9,11,13,16,18-19,21H,5,8,10,12,14H2,1-4H3/t16-,18-,19-/m0/s1.
What are the key properties of (2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine?
(2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine has a molecular weight of 301.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]hept-5-en-2-amine is sourced from PubChem (CID 129330781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).