N-heptyl-3,4-dimethylaniline

C15H25N — CID 43129292

IUPACN-heptyl-3,4-dimethylaniline
SMILESCCCCCCCNc1ccc(C)c(C)c1
InChIInChI=1S/C15H25N/c1-4-5-6-7-8-11-16-15-10-9-13(2)14(3)12-15/h9-10,12,16H,4-8,11H2,1-3H3
InChIKeyFUDQEKPWWMDYQJ-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.69
Rot. Bonds7

About N-heptyl-3,4-dimethylaniline

N-heptyl-3,4-dimethylaniline (PubChem CID 43129292) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-heptyl-3,4-dimethylaniline.

Molecular Properties

Compound NameN-heptyl-3,4-dimethylaniline
PubChem CID43129292
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-heptyl-3,4-dimethylaniline
SMILESCCCCCCCNc1ccc(C)c(C)c1
InChIInChI=1S/C15H25N/c1-4-5-6-7-8-11-16-15-10-9-13(2)14(3)12-15/h9-10,12,16H,4-8,11H2,1-3H3
InChIKeyFUDQEKPWWMDYQJ-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-hexyl-3-methylaniline
CID 28877172
N-decyl-3-fluoro-4-methylaniline
CID 63488478
3-iodo-4-methyl-N-octylaniline
CID 43716130
3-chloro-N-dodecyl-4-methylaniline
CID 63487569
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
4-methyl-N-octylaniline
CID 11816856
3-methyl-4-nitro-N-octylaniline
CID 55191806
4-bromo-3,5-dimethyl-N-nonylaniline
CID 107573583
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
2-methyl-5-(pentylamino)benzenesulfonamide
CID 28653503
N-[5-(hexylamino)-2-methylphenyl]acetamide
CID 43735857
3-bromo-N-dodecyl-4-fluoroaniline
CID 104777613

Frequently Asked Questions

What is the IUPAC name of N-heptyl-3,4-dimethylaniline?
The IUPAC name of N-heptyl-3,4-dimethylaniline (CID 43129292) is N-heptyl-3,4-dimethylaniline.
What is the SMILES notation for N-heptyl-3,4-dimethylaniline?
The canonical SMILES for N-heptyl-3,4-dimethylaniline is CCCCCCCNc1ccc(C)c(C)c1.
What is the InChIKey of N-heptyl-3,4-dimethylaniline?
The InChIKey is FUDQEKPWWMDYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-4-5-6-7-8-11-16-15-10-9-13(2)14(3)12-15/h9-10,12,16H,4-8,11H2,1-3H3.
What are the key properties of N-heptyl-3,4-dimethylaniline?
N-heptyl-3,4-dimethylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-3,4-dimethylaniline is sourced from PubChem (CID 43129292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).