but-1-ene;4-butyl-N-methylaniline

C15H25N — CID 142016759

IUPACbut-1-ene;4-butyl-N-methylaniline
SMILESC=CCC.CCCCc1ccc(NC)cc1
InChIInChI=1S/C11H17N.C4H8/c1-3-4-5-10-6-8-11(12-2)9-7-10;1-3-4-2/h6-9,12H,3-5H2,1-2H3;3H,1,4H2,2H3
InChIKeyRNWDXJCPSOTPAI-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.65
Rot. Bonds5

About but-1-ene;4-butyl-N-methylaniline

but-1-ene;4-butyl-N-methylaniline (PubChem CID 142016759) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is but-1-ene;4-butyl-N-methylaniline.

Molecular Properties

Compound Namebut-1-ene;4-butyl-N-methylaniline
PubChem CID142016759
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Namebut-1-ene;4-butyl-N-methylaniline
SMILESC=CCC.CCCCc1ccc(NC)cc1
InChIInChI=1S/C11H17N.C4H8/c1-3-4-5-10-6-8-11(12-2)9-7-10;1-3-4-2/h6-9,12H,3-5H2,1-2H3;3H,1,4H2,2H3
InChIKeyRNWDXJCPSOTPAI-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119
4-[(4-butylphenyl)diazenyl]-N-methylaniline
CID 129106039
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-pentyl-4-prop-2-enylbenzene
CID 24721930
4-[4-(methylamino)phenyl]butan-1-ol
CID 69404104
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869

Frequently Asked Questions

What is the IUPAC name of but-1-ene;4-butyl-N-methylaniline?
The IUPAC name of but-1-ene;4-butyl-N-methylaniline (CID 142016759) is but-1-ene;4-butyl-N-methylaniline.
What is the SMILES notation for but-1-ene;4-butyl-N-methylaniline?
The canonical SMILES for but-1-ene;4-butyl-N-methylaniline is C=CCC.CCCCc1ccc(NC)cc1.
What is the InChIKey of but-1-ene;4-butyl-N-methylaniline?
The InChIKey is RNWDXJCPSOTPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C4H8/c1-3-4-5-10-6-8-11(12-2)9-7-10;1-3-4-2/h6-9,12H,3-5H2,1-2H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;4-butyl-N-methylaniline?
but-1-ene;4-butyl-N-methylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;4-butyl-N-methylaniline is sourced from PubChem (CID 142016759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).