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

C17H17N — CID 55052593

IUPAC1,1-diphenylpent-4-yn-2-amine
SMILESC#CCC(N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N/c1-2-9-16(18)17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h1,3-8,10-13,16-17H,9,18H2
InChIKeyCQHJVTLYBQOHAP-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.17
Rot. Bonds4

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

1,1-diphenylpent-4-yn-2-amine (PubChem CID 55052593) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 1,1-diphenylpent-4-yn-2-amine.

Molecular Properties

Compound Name1,1-diphenylpent-4-yn-2-amine
PubChem CID55052593
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name1,1-diphenylpent-4-yn-2-amine
SMILESC#CCC(N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17N/c1-2-9-16(18)17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h1,3-8,10-13,16-17H,9,18H2
InChIKeyCQHJVTLYBQOHAP-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.17
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

3,3-diphenylpropane-1,2-diamine;dihydrochloride
CID 141351446
N-ethyl-1,1-diphenylpent-4-yn-2-amine
CID 62233520
2-phenylpent-4-ynenitrile
CID 121216433
1,1-diphenyl-N-propylpent-4-yn-2-amine
CID 62233521
2-phenylpent-4-ynal
CID 14713497
3,3-diphenyl-2-N-prop-2-ynylpropane-1,2-diamine
CID 107292807
1,1-diphenyl-3-propan-2-yloxypropan-2-amine
CID 79574233
1,1-diphenylhexan-2-amine;hydrate
CID 173442178
(1S)-1-phenyl-2-prop-2-ynoxyethanamine
CID 146597037
1-(4-isocyanophenyl)-1-phenylpent-4-yn-2-ol
CID 58482036
2-methyl-6,6-diphenylhexane-1,5-diamine
CID 174986807
(1R)-1-phenyl-N'-prop-2-ynylethane-1,2-diamine
CID 121446388

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylpent-4-yn-2-amine?
The IUPAC name of 1,1-diphenylpent-4-yn-2-amine (CID 55052593) is 1,1-diphenylpent-4-yn-2-amine.
What is the SMILES notation for 1,1-diphenylpent-4-yn-2-amine?
The canonical SMILES for 1,1-diphenylpent-4-yn-2-amine is C#CCC(N)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylpent-4-yn-2-amine?
The InChIKey is CQHJVTLYBQOHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-9-16(18)17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h1,3-8,10-13,16-17H,9,18H2.
What are the key properties of 1,1-diphenylpent-4-yn-2-amine?
1,1-diphenylpent-4-yn-2-amine has a molecular weight of 235.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylpent-4-yn-2-amine is sourced from PubChem (CID 55052593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).