N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline

C15H23N — CID 139504036

IUPACN-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline
SMILESCC/C(C)=C/c1ccc(C(C)C)cc1NC
InChIInChI=1S/C15H23N/c1-6-12(4)9-14-8-7-13(11(2)3)10-15(14)16-5/h7-11,16H,6H2,1-5H3/b12-9+
InChIKeyRGABOSRILDDSES-FMIVXFBMSA-N
MW217.36 g/mol
LogP4.66
Rot. Bonds4

About N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline

N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline (PubChem CID 139504036) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline.

Molecular Properties

Compound NameN-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline
PubChem CID139504036
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline
SMILESCC/C(C)=C/c1ccc(C(C)C)cc1NC
InChIInChI=1S/C15H23N/c1-6-12(4)9-14-8-7-13(11(2)3)10-15(14)16-5/h7-11,16H,6H2,1-5H3/b12-9+
InChIKeyRGABOSRILDDSES-FMIVXFBMSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylbut-1-enyl-bis(3-propan-2-ylphenyl)borane
CID 67927804
2-(methylamino)-5-propan-2-ylbenzenethiol
CID 1482375
2-fluoro-N-methyl-4-propan-2-ylaniline
CID 58786905
1-N-(4,6-dimethylpyrimidin-2-yl)-1-N-ethyl-2-N-methyl-4-propan-2-ylbenzene-1,2-diamine
CID 151828250
2-(methylamino)-5-propan-2-ylbenzoic acid
CID 130893256
N-methyl-2-phenyl-6-propan-2-ylquinolin-4-amine
CID 63481504
2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde
CID 178062339
2-(methylamino)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 87149252
N-(2-formyl-5-propan-2-ylphenyl)cyclopropanecarboxamide
CID 177101617
N-methyl-2-piperazin-1-yl-5-propan-2-ylaniline
CID 138530542
2-[4-propan-2-yl-2-(propan-2-ylamino)phenyl]ethanol
CID 174278157
1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene
CID 168937681

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline?
The IUPAC name of N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline (CID 139504036) is N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline.
What is the SMILES notation for N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline?
The canonical SMILES for N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline is CC/C(C)=C/c1ccc(C(C)C)cc1NC.
What is the InChIKey of N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline?
The InChIKey is RGABOSRILDDSES-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H23N/c1-6-12(4)9-14-8-7-13(11(2)3)10-15(14)16-5/h7-11,16H,6H2,1-5H3/b12-9+.
What are the key properties of N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline?
N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline has a molecular weight of 217.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(E)-2-methylbut-1-enyl]-5-propan-2-ylaniline is sourced from PubChem (CID 139504036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).