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

C14H21N — CID 138738524

IUPACN-methyl-4-(4-methyl-3-methylidenepentyl)aniline
SMILESC=C(CCc1ccc(NC)cc1)C(C)C
InChIInChI=1S/C14H21N/c1-11(2)12(3)5-6-13-7-9-14(15-4)10-8-13/h7-11,15H,3,5-6H2,1-2,4H3
InChIKeySAZSYSUTIJRWFJ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.87
Rot. Bonds5

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

N-methyl-4-(4-methyl-3-methylidenepentyl)aniline (PubChem CID 138738524) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-methyl-4-(4-methyl-3-methylidenepentyl)aniline.

Molecular Properties

Compound NameN-methyl-4-(4-methyl-3-methylidenepentyl)aniline
PubChem CID138738524
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-methyl-4-(4-methyl-3-methylidenepentyl)aniline
SMILESC=C(CCc1ccc(NC)cc1)C(C)C
InChIInChI=1S/C14H21N/c1-11(2)12(3)5-6-13-7-9-14(15-4)10-8-13/h7-11,15H,3,5-6H2,1-2,4H3
InChIKeySAZSYSUTIJRWFJ-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.87
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-(3-methylbutyl)-4-(4-methyl-3-methylidenepentyl)aniline
CID 139470039
1,5-bis[4-(methylamino)phenyl]pentan-3-one
CID 175944254
1-[4-(methylamino)phenyl]propan-2-ol
CID 142796723
amino 3-[4-(methylamino)phenyl]propanoate
CID 118518971
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
4-[4-(methylamino)phenyl]butan-1-ol
CID 69404104
4-methyl-1-[4-(2-methylhydrazinyl)phenyl]pentan-3-one
CID 156837078
[2-hydroxy-3-[3-[4-(methylamino)phenyl]propanoyloxy]propyl] 2-methylprop-2-enoate
CID 118031046
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
4-[(dimethylamino)methyl]-N-methylaniline
CID 59619039
3-[4-(methylamino)phenyl]propanenitrile
CID 131609769
N-methyl-4-[4-(2-methylpropyl)phenyl]aniline
CID 116962445

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methyl-3-methylidenepentyl)aniline?
The IUPAC name of N-methyl-4-(4-methyl-3-methylidenepentyl)aniline (CID 138738524) is N-methyl-4-(4-methyl-3-methylidenepentyl)aniline.
What is the SMILES notation for N-methyl-4-(4-methyl-3-methylidenepentyl)aniline?
The canonical SMILES for N-methyl-4-(4-methyl-3-methylidenepentyl)aniline is C=C(CCc1ccc(NC)cc1)C(C)C.
What is the InChIKey of N-methyl-4-(4-methyl-3-methylidenepentyl)aniline?
The InChIKey is SAZSYSUTIJRWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)12(3)5-6-13-7-9-14(15-4)10-8-13/h7-11,15H,3,5-6H2,1-2,4H3.
What are the key properties of N-methyl-4-(4-methyl-3-methylidenepentyl)aniline?
N-methyl-4-(4-methyl-3-methylidenepentyl)aniline has a molecular weight of 203.33 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methyl-3-methylidenepentyl)aniline is sourced from PubChem (CID 138738524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).