N-but-1-en-2-yl-4-propylaniline

C13H19N — CID 142064783

IUPACN-but-1-en-2-yl-4-propylaniline
SMILESC=C(CC)Nc1ccc(CCC)cc1
InChIInChI=1S/C13H19N/c1-4-6-12-7-9-13(10-8-12)14-11(3)5-2/h7-10,14H,3-6H2,1-2H3
InChIKeyQLVGHGVZJLXLFT-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.97
Rot. Bonds5

About N-but-1-en-2-yl-4-propylaniline

N-but-1-en-2-yl-4-propylaniline (PubChem CID 142064783) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-but-1-en-2-yl-4-propylaniline.

Molecular Properties

Compound NameN-but-1-en-2-yl-4-propylaniline
PubChem CID142064783
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-but-1-en-2-yl-4-propylaniline
SMILESC=C(CC)Nc1ccc(CCC)cc1
InChIInChI=1S/C13H19N/c1-4-6-12-7-9-13(10-8-12)14-11(3)5-2/h7-10,14H,3-6H2,1-2H3
InChIKeyQLVGHGVZJLXLFT-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
N-methoxy-4-propylaniline
CID 143258857
2-amino-3-methyl-N-(4-propylphenyl)butanamide
CID 43378687
2-hydrazinyl-2-oxo-N-(4-propylphenyl)acetamide
CID 43378780
1-tert-butyl-3-(4-propylphenyl)urea
CID 113218267
2-amino-N-(4-propylphenyl)propanamide
CID 43378686
2-methylsulfanyl-N-(4-propylphenyl)acetamide
CID 112765657
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
2,4,5-trimethyl-N-(4-propylphenyl)furan-3-carboxamide
CID 18098041
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
2-tert-butyl-1-(4-propylphenyl)guanidine
CID 62378915

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-4-propylaniline?
The IUPAC name of N-but-1-en-2-yl-4-propylaniline (CID 142064783) is N-but-1-en-2-yl-4-propylaniline.
What is the SMILES notation for N-but-1-en-2-yl-4-propylaniline?
The canonical SMILES for N-but-1-en-2-yl-4-propylaniline is C=C(CC)Nc1ccc(CCC)cc1.
What is the InChIKey of N-but-1-en-2-yl-4-propylaniline?
The InChIKey is QLVGHGVZJLXLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-6-12-7-9-13(10-8-12)14-11(3)5-2/h7-10,14H,3-6H2,1-2H3.
What are the key properties of N-but-1-en-2-yl-4-propylaniline?
N-but-1-en-2-yl-4-propylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-4-propylaniline is sourced from PubChem (CID 142064783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).