N-ethyl-1,1-diphenylpent-4-yn-2-amine

C19H21N — CID 62233520

IUPACN-ethyl-1,1-diphenylpent-4-yn-2-amine
SMILESC#CCC(NCC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N/c1-3-11-18(20-4-2)19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h1,5-10,12-15,18-20H,4,11H2,2H3
InChIKeyWMMMTUVXSGWDKT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.82
Rot. Bonds6

About N-ethyl-1,1-diphenylpent-4-yn-2-amine

N-ethyl-1,1-diphenylpent-4-yn-2-amine (PubChem CID 62233520) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-1,1-diphenylpent-4-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-diphenylpent-4-yn-2-amine
PubChem CID62233520
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC NameN-ethyl-1,1-diphenylpent-4-yn-2-amine
SMILESC#CCC(NCC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N/c1-3-11-18(20-4-2)19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h1,5-10,12-15,18-20H,4,11H2,2H3
InChIKeyWMMMTUVXSGWDKT-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.82
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

1,1-diphenyl-N-propylpent-4-yn-2-amine
CID 62233521
3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine
CID 107292807
N-ethyl-1,1-diphenylpent-4-en-2-amine
CID 61380727
1,1-diphenylpent-4-yn-2-amine
CID 55052593
N-ethyl-3-methyl-1,1-diphenylbutan-2-amine
CID 60817823
N-ethyl-5-methylhept-1-yn-4-amine
CID 63717234
N-ethyl-1-(3-phenylmethoxyphenyl)but-3-yn-1-amine
CID 105077579
N-benzhydrylethanamine;ethane
CID 142974710
1-(2-bromophenyl)-N-ethylbut-3-yn-1-amine
CID 62234979
5-phenylhept-1-yn-4-ol
CID 115840091
N-ethyl-3-phenylheptan-4-amine
CID 83051533
3,3-diphenyl-2-N-propylpropane-1,2-diamine
CID 107292802

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-diphenylpent-4-yn-2-amine?
The IUPAC name of N-ethyl-1,1-diphenylpent-4-yn-2-amine (CID 62233520) is N-ethyl-1,1-diphenylpent-4-yn-2-amine.
What is the SMILES notation for N-ethyl-1,1-diphenylpent-4-yn-2-amine?
The canonical SMILES for N-ethyl-1,1-diphenylpent-4-yn-2-amine is C#CCC(NCC)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-ethyl-1,1-diphenylpent-4-yn-2-amine?
The InChIKey is WMMMTUVXSGWDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-3-11-18(20-4-2)19(16-12-7-5-8-13-16)17-14-9-6-10-15-17/h1,5-10,12-15,18-20H,4,11H2,2H3.
What are the key properties of N-ethyl-1,1-diphenylpent-4-yn-2-amine?
N-ethyl-1,1-diphenylpent-4-yn-2-amine has a molecular weight of 263.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-diphenylpent-4-yn-2-amine is sourced from PubChem (CID 62233520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).