N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline

C18H29N — CID 139470039

IUPACN-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline
SMILESC=C(CCc1ccc(NCCC(C)C)cc1)C(C)C
InChIInChI=1S/C18H29N/c1-14(2)12-13-19-18-10-8-17(9-11-18)7-6-16(5)15(3)4/h8-11,14-15,19H,5-7,12-13H2,1-4H3
InChIKeyAEUJAGNNCCNPTO-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.29
Rot. Bonds8

About N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline

N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline (PubChem CID 139470039) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline
PubChem CID139470039
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline
SMILESC=C(CCc1ccc(NCCC(C)C)cc1)C(C)C
InChIInChI=1S/C18H29N/c1-14(2)12-13-19-18-10-8-17(9-11-18)7-6-16(5)15(3)4/h8-11,14-15,19H,5-7,12-13H2,1-4H3
InChIKeyAEUJAGNNCCNPTO-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.29
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-(4-methyl-3-methylidenepentyl)aniline
CID 138738524
N-ethyl-2-[4-(3-methylbutylamino)phenyl]acetamide
CID 43737544
N-[4-(3-methylbutylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 112985122
2-(4-methoxyphenyl)-N-[4-(3-methylbutylamino)phenyl]acetamide
CID 112985099
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
1-[4-(3-methylbutylamino)phenyl]propan-1-one
CID 95443510
N-[4-(3-methylbutylamino)phenyl]-2-(3-methylphenyl)acetamide
CID 112985121
4-ethyl-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985145
[4-(3-methylbutylamino)phenyl] 3-methylbutanoate
CID 82531862
N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide
CID 113015098
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline?
The IUPAC name of N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline (CID 139470039) is N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline.
What is the SMILES notation for N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline?
The canonical SMILES for N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline is C=C(CCc1ccc(NCCC(C)C)cc1)C(C)C.
What is the InChIKey of N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline?
The InChIKey is AEUJAGNNCCNPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)12-13-19-18-10-8-17(9-11-18)7-6-16(5)15(3)4/h8-11,14-15,19H,5-7,12-13H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline?
N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline has a molecular weight of 259.44 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline is sourced from PubChem (CID 139470039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).