3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine

C15H21N — CID 114498039

IUPAC3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine
SMILESCCCCc1ccc(C#CCNCC)cc1
InChIInChI=1S/C15H21N/c1-3-5-7-14-9-11-15(12-10-14)8-6-13-16-4-2/h9-12,16H,3-5,7,13H2,1-2H3
InChIKeyLMJNRGJYHYQCBZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.99
Rot. Bonds5

About 3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine

3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine (PubChem CID 114498039) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine
PubChem CID114498039
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine
SMILESCCCCc1ccc(C#CCNCC)cc1
InChIInChI=1S/C15H21N/c1-3-5-7-14-9-11-15(12-10-14)8-6-13-16-4-2/h9-12,16H,3-5,7,13H2,1-2H3
InChIKeyLMJNRGJYHYQCBZ-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.99
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

1-butyl-4-but-1-ynylbenzene
CID 173385360
1-pentyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 19899704
1-hept-1-ynyl-4-[2-(4-propylphenyl)ethynyl]benzene
CID 14439222
1-[2-(4-decylphenyl)ethynyl]-4-[2-(4-hexylphenyl)ethynyl]benzene
CID 19790521
1-butyl-4-[2-[4-[2-[4-[2-(4-butylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 72534288
1-butyl-4-(3-methylbut-1-ynyl)benzene
CID 144704450
N-ethyl-3-(3-propylphenyl)prop-2-yn-1-amine
CID 114498011
1-octyl-4-[4-(4-octylphenyl)buta-1,3-diynyl]benzene
CID 100934504
methyl 3-(4-butylphenyl)prop-2-ynoate
CID 146002794
2-butyl-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 19912364
1,2,3,4,5,6-hexakis[2-(4-nonylphenyl)ethynyl]benzene
CID 20581935
1-(2-bromoethynyl)-4-pentylbenzene
CID 14716422

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine?
The IUPAC name of 3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine (CID 114498039) is 3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine.
What is the SMILES notation for 3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine?
The canonical SMILES for 3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine is CCCCc1ccc(C#CCNCC)cc1.
What is the InChIKey of 3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine?
The InChIKey is LMJNRGJYHYQCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-3-5-7-14-9-11-15(12-10-14)8-6-13-16-4-2/h9-12,16H,3-5,7,13H2,1-2H3.
What are the key properties of 3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine?
3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine has a molecular weight of 215.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenyl)-N-ethylprop-2-yn-1-amine is sourced from PubChem (CID 114498039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).