3-phenyl-N-propylprop-2-yn-1-amine

C12H15N — CID 4717506

IUPAC3-phenyl-N-propylprop-2-yn-1-amine
SMILESCCCNCC#Cc1ccccc1
InChIInChI=1S/C12H15N/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,10-11H2,1H3
InChIKeyYWJIRTMAFSRUID-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.04
Rot. Bonds3

About 3-phenyl-N-propylprop-2-yn-1-amine

3-phenyl-N-propylprop-2-yn-1-amine (PubChem CID 4717506) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-phenyl-N-propylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-phenyl-N-propylprop-2-yn-1-amine
PubChem CID4717506
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-phenyl-N-propylprop-2-yn-1-amine
SMILESCCCNCC#Cc1ccccc1
InChIInChI=1S/C12H15N/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,10-11H2,1H3
InChIKeyYWJIRTMAFSRUID-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.04
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

5-phenyl-N-propylpent-4-yn-1-amine
CID 11401415
N',N'-diethyl-N-(3-phenylprop-2-ynyl)ethane-1,2-diamine;dihydrochloride
CID 17295622
N-(3-phenylprop-2-ynyl)pent-2-en-1-amine
CID 146019761
N-[(4-ethylcyclohexyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62338995
2-methyl-1-N-(3-phenylprop-2-ynyl)propane-1,2-diamine
CID 102014487
N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide
CID 62339519
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-phenylprop-2-yn-1-amine
CID 106046464
N-[2-(cyclopropylmethoxy)ethyl]-3-phenylprop-2-yn-1-amine
CID 114097887
N-ethoxy-3-phenylprop-2-yn-1-amine
CID 64975006
N-[2-(4-nitrophenyl)ethyl]-3-phenylprop-2-yn-1-amine
CID 62340877
N-[(2-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62341214
2,2,3-trimethyl-N-(3-phenylprop-2-ynyl)butan-1-amine
CID 114099863

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propylprop-2-yn-1-amine?
The IUPAC name of 3-phenyl-N-propylprop-2-yn-1-amine (CID 4717506) is 3-phenyl-N-propylprop-2-yn-1-amine.
What is the SMILES notation for 3-phenyl-N-propylprop-2-yn-1-amine?
The canonical SMILES for 3-phenyl-N-propylprop-2-yn-1-amine is CCCNCC#Cc1ccccc1.
What is the InChIKey of 3-phenyl-N-propylprop-2-yn-1-amine?
The InChIKey is YWJIRTMAFSRUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,10-11H2,1H3.
What are the key properties of 3-phenyl-N-propylprop-2-yn-1-amine?
3-phenyl-N-propylprop-2-yn-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propylprop-2-yn-1-amine is sourced from PubChem (CID 4717506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).