5-phenyl-N-propylpent-4-yn-1-amine

C14H19N — CID 11401415

IUPAC5-phenyl-N-propylpent-4-yn-1-amine
SMILESCCCNCCCC#Cc1ccccc1
InChIInChI=1S/C14H19N/c1-2-12-15-13-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,8,12-13H2,1H3
InChIKeyNXXLBXPGVNKHRP-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.82
Rot. Bonds5

About 5-phenyl-N-propylpent-4-yn-1-amine

5-phenyl-N-propylpent-4-yn-1-amine (PubChem CID 11401415) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-phenyl-N-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name5-phenyl-N-propylpent-4-yn-1-amine
PubChem CID11401415
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name5-phenyl-N-propylpent-4-yn-1-amine
SMILESCCCNCCCC#Cc1ccccc1
InChIInChI=1S/C14H19N/c1-2-12-15-13-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,8,12-13H2,1H3
InChIKeyNXXLBXPGVNKHRP-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506
tridec-1-ynylbenzene
CID 19991064
ethane;non-1-ynylbenzene
CID 143616673
6-bromohex-1-ynylbenzene
CID 10728550
deca-1,9-diynylbenzene
CID 86004260
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
1-hept-1-ynyl-4-phenoxybenzene
CID 146003733
N',N'-diethyl-N-(3-phenylprop-2-ynyl)ethane-1,2-diamine;dihydrochloride
CID 17295622
5-methylsulfinylpent-1-ynylbenzene
CID 15311000
N-(3-phenylprop-2-ynyl)pent-2-en-1-amine
CID 146019761
12,12-dimethyltridec-1-ynylbenzene
CID 151442672
7-phenylhept-6-yn-2-one
CID 11084575

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-propylpent-4-yn-1-amine?
The IUPAC name of 5-phenyl-N-propylpent-4-yn-1-amine (CID 11401415) is 5-phenyl-N-propylpent-4-yn-1-amine.
What is the SMILES notation for 5-phenyl-N-propylpent-4-yn-1-amine?
The canonical SMILES for 5-phenyl-N-propylpent-4-yn-1-amine is CCCNCCCC#Cc1ccccc1.
What is the InChIKey of 5-phenyl-N-propylpent-4-yn-1-amine?
The InChIKey is NXXLBXPGVNKHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-12-15-13-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,8,12-13H2,1H3.
What are the key properties of 5-phenyl-N-propylpent-4-yn-1-amine?
5-phenyl-N-propylpent-4-yn-1-amine has a molecular weight of 201.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-propylpent-4-yn-1-amine is sourced from PubChem (CID 11401415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).