(Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine

C16H18N2 — CID 10681416

IUPAC(Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine
SMILESC#CC/C(C1=NCCCC1)=C(/N)c1ccccc1
InChIInChI=1S/C16H18N2/c1-2-8-14(15-11-6-7-12-18-15)16(17)13-9-4-3-5-10-13/h1,3-5,9-10H,6-8,11-12,17H2/b16-14-
InChIKeyPXIBXYFFXWBSPF-PEZBUJJGSA-N
MW238.33 g/mol
LogP3.00
Rot. Bonds3

About (Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine

(Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine (PubChem CID 10681416) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine.

Molecular Properties

Compound Name(Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine
PubChem CID10681416
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine
SMILESC#CC/C(C1=NCCCC1)=C(/N)c1ccccc1
InChIInChI=1S/C16H18N2/c1-2-8-14(15-11-6-7-12-18-15)16(17)13-9-4-3-5-10-13/h1,3-5,9-10H,6-8,11-12,17H2/b16-14-
InChIKeyPXIBXYFFXWBSPF-PEZBUJJGSA-N
XLogP3.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 67517507
pyridin-2-ylmethyl 3,4,5,6,7,8-hexahydro-2H-azonine-9-carboxylate
CID 11108080
dichloroplatinum;1,2-diphenylethene-1,2-diamine
CID 88758515
(2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one
CID 6199853
6-benzhydryl-2,3,4,5-tetrahydropyridine
CID 54250072
3-(2,3,4,5-tetrahydropyridin-6-ylmethyl)benzoic acid
CID 157121600
3,3-diphenyl-N-prop-2-ynylprop-2-en-1-imine
CID 54697941
2-[2-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-phenylethanone
CID 4751842
N,N-bis(prop-2-ynyl)benzamide
CID 11790147
lithium 2,3,4,5-tetrahydropyridine-6-carboxylate
CID 100925685
1,2-diphenylethene-1,2-diamine;sulfuric acid
CID 70255418

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine?
The IUPAC name of (Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine (CID 10681416) is (Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine.
What is the SMILES notation for (Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine?
The canonical SMILES for (Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine is C#CC/C(C1=NCCCC1)=C(/N)c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine?
The InChIKey is PXIBXYFFXWBSPF-PEZBUJJGSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-8-14(15-11-6-7-12-18-15)16(17)13-9-4-3-5-10-13/h1,3-5,9-10H,6-8,11-12,17H2/b16-14-.
What are the key properties of (Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine?
(Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-2-(2,3,4,5-tetrahydropyridin-6-yl)pent-1-en-4-yn-1-amine is sourced from PubChem (CID 10681416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).