(3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine

C14H24N2 — CID 142191153

IUPAC(3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine
SMILESC=CCC1=C(NC(C)/C=C\C)CNC[C@@H]1C
InChIInChI=1S/C14H24N2/c1-5-7-12(4)16-14-10-15-9-11(3)13(14)8-6-2/h5-7,11-12,15-16H,2,8-10H2,1,3-4H3/b7-5-/t11-,12?/m0/s1
InChIKeyQWXGWYORLDQWKY-USVMZGSESA-N
MW220.36 g/mol
LogP2.61
Rot. Bonds5

About (3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine

(3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine (PubChem CID 142191153) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine.

Molecular Properties

Compound Name(3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine
PubChem CID142191153
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine
SMILESC=CCC1=C(NC(C)/C=C\C)CNC[C@@H]1C
InChIInChI=1S/C14H24N2/c1-5-7-12(4)16-14-10-15-9-11(3)13(14)8-6-2/h5-7,11-12,15-16H,2,8-10H2,1,3-4H3/b7-5-/t11-,12?/m0/s1
InChIKeyQWXGWYORLDQWKY-USVMZGSESA-N
XLogP2.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Isobutylhexahydropyrrolo[1,2-a]pyrazine
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3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
CID 138655203
6,7-dimethyl-3-[(E)-7,7,7-trifluoro-6-methylhept-5-en-3-yl]-2,3,4,5-tetrahydro-1H-1,4-diazepine
CID 147795061
(E)-1-N-ethyl-1-N-[(6-fluoro-6-methylcyclohex-3-en-1-yl)methyl]-2-N-methylbut-2-ene-1,2-diamine
CID 170446160
(2S,3E)-5-N-[(2E,3S)-2-ethylidene-3-methylheptyl]-2-fluoro-4-N,4-N,3-trimethylnona-3,6-diene-4,5-diamine
CID 173863327
(2S,6S)-6-(2-methylpropyl)-2-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 10866958
(2S,6S)-6-methyl-2-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 55302316
2-(2-Methylpropyl)-1,2,3,6-tetrahydropyridine
CID 19883207
2,6-dimethyl-N-(4-methylpentan-2-yl)hept-5-en-1-amine
CID 21355495
N-(cyclohex-2-en-1-ylmethyl)propan-2-amine
CID 58786884
2,6-dimethyl-N-[(2R)-4-methylpentan-2-yl]hept-5-en-1-amine
CID 59084782

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine?
The IUPAC name of (3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine (CID 142191153) is (3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine.
What is the SMILES notation for (3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine?
The canonical SMILES for (3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine is C=CCC1=C(NC(C)/C=C\C)CNC[C@@H]1C.
What is the InChIKey of (3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine?
The InChIKey is QWXGWYORLDQWKY-USVMZGSESA-N. The full InChI is InChI=1S/C14H24N2/c1-5-7-12(4)16-14-10-15-9-11(3)13(14)8-6-2/h5-7,11-12,15-16H,2,8-10H2,1,3-4H3/b7-5-/t11-,12?/m0/s1.
What are the key properties of (3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine?
(3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine has a molecular weight of 220.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[(Z)-pent-3-en-2-yl]-4-prop-2-enyl-1,2,3,6-tetrahydropyridin-5-amine is sourced from PubChem (CID 142191153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).