1,1-diphenyl-N-propylpent-4-yn-2-amine

C20H23N — CID 62233521

IUPAC1,1-diphenyl-N-propylpent-4-yn-2-amine
SMILESC#CCC(NCCC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N/c1-3-11-19(21-16-4-2)20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h1,5-10,12-15,19-21H,4,11,16H2,2H3
InChIKeyXQCGSZUNWSTZOX-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.21
Rot. Bonds7

About 1,1-diphenyl-N-propylpent-4-yn-2-amine

1,1-diphenyl-N-propylpent-4-yn-2-amine (PubChem CID 62233521) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 1,1-diphenyl-N-propylpent-4-yn-2-amine.

Molecular Properties

Compound Name1,1-diphenyl-N-propylpent-4-yn-2-amine
PubChem CID62233521
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name1,1-diphenyl-N-propylpent-4-yn-2-amine
SMILESC#CCC(NCCC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N/c1-3-11-19(21-16-4-2)20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h1,5-10,12-15,19-21H,4,11,16H2,2H3
InChIKeyXQCGSZUNWSTZOX-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1,1-diphenylpent-4-yn-2-amine
CID 62233520
3,3-diphenyl-2-N-propylpropane-1,2-diamine
CID 107292802
3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine
CID 107292807
1-phenoxy-N-propylpent-4-yn-2-amine
CID 62717059
1-(3-bromophenyl)-N-propylbut-3-yn-1-amine
CID 62235331
5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine
CID 55180393
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
1,1-diphenylpent-4-yn-2-amine
CID 55052593
1-(5-bromothiophen-3-yl)-N-propylbut-3-yn-1-amine
CID 105077694
N-[(1R)-1-phenyl-2-piperidin-1-ylethyl]propan-1-amine
CID 58330527
5-methoxy-N-propyloct-1-yn-4-amine
CID 116719359
4-benzyl-N-propylhexan-3-amine
CID 79307889

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-propylpent-4-yn-2-amine?
The IUPAC name of 1,1-diphenyl-N-propylpent-4-yn-2-amine (CID 62233521) is 1,1-diphenyl-N-propylpent-4-yn-2-amine.
What is the SMILES notation for 1,1-diphenyl-N-propylpent-4-yn-2-amine?
The canonical SMILES for 1,1-diphenyl-N-propylpent-4-yn-2-amine is C#CCC(NCCC)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-N-propylpent-4-yn-2-amine?
The InChIKey is XQCGSZUNWSTZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-3-11-19(21-16-4-2)20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h1,5-10,12-15,19-21H,4,11,16H2,2H3.
What are the key properties of 1,1-diphenyl-N-propylpent-4-yn-2-amine?
1,1-diphenyl-N-propylpent-4-yn-2-amine has a molecular weight of 277.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-propylpent-4-yn-2-amine is sourced from PubChem (CID 62233521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).