5-phenylpent-2-yn-1-amine

C11H13N — CID 53412251

IUPAC5-phenylpent-2-yn-1-amine
SMILESNCC#CCCc1ccccc1
InChIInChI=1S/C11H13N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,5,9-10,12H2
InChIKeyMTSNGLMZDPJXTE-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.58
Rot. Bonds2

About 5-phenylpent-2-yn-1-amine

5-phenylpent-2-yn-1-amine (PubChem CID 53412251) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-phenylpent-2-yn-1-amine.

Molecular Properties

Compound Name5-phenylpent-2-yn-1-amine
PubChem CID53412251
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5-phenylpent-2-yn-1-amine
SMILESNCC#CCCc1ccccc1
InChIInChI=1S/C11H13N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,5,9-10,12H2
InChIKeyMTSNGLMZDPJXTE-UHFFFAOYSA-N
XLogP1.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.58
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

5-chloropent-3-ynylbenzene
CID 102599188
dec-3-ynylbenzene
CID 13130420
8-iodooct-4-ynylbenzene
CID 139920502
(5,6-dimethylidene-10-phenyldeca-3,7-diynyl)benzene
CID 154721237
7-phenylhepta-2,4-diyn-1-ol
CID 88731246
benzene;2-phenylethylbenzene
CID 18982764
azane;2-phenylethanamine
CID 23506485
6,6-dichlorohex-4-ynylbenzene
CID 164665221
6-methylhept-5-en-3-ynylbenzene
CID 102338437
1-ethynyl-2-(4-phenylbut-1-ynyl)benzene
CID 71600475
(1R)-1,5-diphenylpent-2-yn-1-ol
CID 15880987
benzene;3-phenylpropan-1-amine
CID 174865683

Frequently Asked Questions

What is the IUPAC name of 5-phenylpent-2-yn-1-amine?
The IUPAC name of 5-phenylpent-2-yn-1-amine (CID 53412251) is 5-phenylpent-2-yn-1-amine.
What is the SMILES notation for 5-phenylpent-2-yn-1-amine?
The canonical SMILES for 5-phenylpent-2-yn-1-amine is NCC#CCCc1ccccc1.
What is the InChIKey of 5-phenylpent-2-yn-1-amine?
The InChIKey is MTSNGLMZDPJXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,5,9-10,12H2.
What are the key properties of 5-phenylpent-2-yn-1-amine?
5-phenylpent-2-yn-1-amine has a molecular weight of 159.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpent-2-yn-1-amine is sourced from PubChem (CID 53412251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).