2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine

C17H19N — CID 88718596

IUPAC2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine
SMILESC#CC(C(=C)c1ccccc1)N(CC=C)CC=C
InChIInChI=1S/C17H19N/c1-5-13-18(14-6-2)17(7-3)15(4)16-11-9-8-10-12-16/h3,5-6,8-12,17H,1-2,4,13-14H2
InChIKeyGGBGQZYMWHUQIL-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.38
Rot. Bonds7

About 2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine

2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine (PubChem CID 88718596) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine.

Molecular Properties

Compound Name2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine
PubChem CID88718596
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine
SMILESC#CC(C(=C)c1ccccc1)N(CC=C)CC=C
InChIInChI=1S/C17H19N/c1-5-13-18(14-6-2)17(7-3)15(4)16-11-9-8-10-12-16/h3,5-6,8-12,17H,1-2,4,13-14H2
InChIKeyGGBGQZYMWHUQIL-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine?
The IUPAC name of 2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine (CID 88718596) is 2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine.
What is the SMILES notation for 2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine?
The canonical SMILES for 2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine is C#CC(C(=C)c1ccccc1)N(CC=C)CC=C.
What is the InChIKey of 2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine?
The InChIKey is GGBGQZYMWHUQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-5-13-18(14-6-2)17(7-3)15(4)16-11-9-8-10-12-16/h3,5-6,8-12,17H,1-2,4,13-14H2.
What are the key properties of 2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine?
2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine has a molecular weight of 237.35 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,N-bis(prop-2-enyl)pent-1-en-4-yn-3-amine is sourced from PubChem (CID 88718596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).