N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene

C18H31N — CID 143697278

IUPACN,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene
SMILESC=C(C)CC.CC=C(C)C.CNc1ccc(C)cc1
InChIInChI=1S/C8H11N.2C5H10/c1-7-3-5-8(9-2)6-4-7;2*1-4-5(2)3/h3-6,9H,1-2H3;4H,1-3H3;2,4H2,1,3H3
InChIKeyOAMBILIPFODOPE-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.98
Rot. Bonds2

About N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene

N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene (PubChem CID 143697278) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene.

Molecular Properties

Compound NameN,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene
PubChem CID143697278
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene
SMILESC=C(C)CC.CC=C(C)C.CNc1ccc(C)cc1
InChIInChI=1S/C8H11N.2C5H10/c1-7-3-5-8(9-2)6-4-7;2*1-4-5(2)3/h3-6,9H,1-2H3;4H,1-3H3;2,4H2,1,3H3
InChIKeyOAMBILIPFODOPE-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.98
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,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225
butane;N,4-dimethylaniline;(2Z,4E)-3-ethyl-4-fluorohexa-2,4-diene
CID 143844335
N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen
CID 143733495
methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
CID 143782226
ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 91075726
4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene
CID 143014115
4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline
CID 102363273
N-methyl-4-(2-methylprop-1-enyl)aniline
CID 54423846
4-methyl-N-[3-methylidene-1-(4-methylphenyl)pentan-2-yl]aniline;prop-1-ene
CID 177337269
N-buta-1,3-dien-2-yl-4-methylaniline
CID 143234839
N,4-dimethylaniline;1-ethenyl-3-methylbenzene
CID 142013646

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene?
The IUPAC name of N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene (CID 143697278) is N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene.
What is the SMILES notation for N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene?
The canonical SMILES for N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene is C=C(C)CC.CC=C(C)C.CNc1ccc(C)cc1.
What is the InChIKey of N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene?
The InChIKey is OAMBILIPFODOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.2C5H10/c1-7-3-5-8(9-2)6-4-7;2*1-4-5(2)3/h3-6,9H,1-2H3;4H,1-3H3;2,4H2,1,3H3.
What are the key properties of N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene?
N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene has a molecular weight of 261.45 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylaniline;2-methylbut-1-ene;2-methylbut-2-ene is sourced from PubChem (CID 143697278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).