2-phenyl-N-propyloct-6-yn-1-amine

C17H25N — CID 113456169

IUPAC2-phenyl-N-propyloct-6-yn-1-amine
SMILESCC#CCCCC(CNCCC)c1ccccc1
InChIInChI=1S/C17H25N/c1-3-5-6-8-13-17(15-18-14-4-2)16-11-9-7-10-12-16/h7,9-12,17-18H,4,6,8,13-15H2,1-2H3
InChIKeyZSTFHWIDSPRGLO-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.96
Rot. Bonds8

About 2-phenyl-N-propyloct-6-yn-1-amine

2-phenyl-N-propyloct-6-yn-1-amine (PubChem CID 113456169) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-phenyl-N-propyloct-6-yn-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propyloct-6-yn-1-amine
PubChem CID113456169
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-phenyl-N-propyloct-6-yn-1-amine
SMILESCC#CCCCC(CNCCC)c1ccccc1
InChIInChI=1S/C17H25N/c1-3-5-6-8-13-17(15-18-14-4-2)16-11-9-7-10-12-16/h7,9-12,17-18H,4,6,8,13-15H2,1-2H3
InChIKeyZSTFHWIDSPRGLO-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.96
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

2-phenyl-N-propylnonan-1-amine
CID 65429485
N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine
CID 81026656
2-phenyl-N-propyl-5-propylsulfonylpentan-1-amine
CID 106735539
2-phenyl-N-propyl-5-thiophen-2-ylpentan-1-amine
CID 81024076
(2S)-N-butyl-2-phenyl-5-propyloctan-1-amine
CID 142174124
2-(2-phenylnonylamino)ethanol
CID 142077190
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
oct-6-yn-2-ylbenzene
CID 101063649
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
acetylene;(2S)-N-butyl-2-phenyl-5-propyloctan-1-amine;pentane
CID 142174123
2-phenyl-N-(2-undecoxyethyl)hexan-1-amine
CID 22091448
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyloct-6-yn-1-amine?
The IUPAC name of 2-phenyl-N-propyloct-6-yn-1-amine (CID 113456169) is 2-phenyl-N-propyloct-6-yn-1-amine.
What is the SMILES notation for 2-phenyl-N-propyloct-6-yn-1-amine?
The canonical SMILES for 2-phenyl-N-propyloct-6-yn-1-amine is CC#CCCCC(CNCCC)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propyloct-6-yn-1-amine?
The InChIKey is ZSTFHWIDSPRGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-5-6-8-13-17(15-18-14-4-2)16-11-9-7-10-12-16/h7,9-12,17-18H,4,6,8,13-15H2,1-2H3.
What are the key properties of 2-phenyl-N-propyloct-6-yn-1-amine?
2-phenyl-N-propyloct-6-yn-1-amine has a molecular weight of 243.39 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propyloct-6-yn-1-amine is sourced from PubChem (CID 113456169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).