4-(4-aminoheptyl)aniline

C13H22N2 — CID 83928416

IUPAC4-(4-aminoheptyl)aniline
SMILESCCCC(N)CCCc1ccc(N)cc1
InChIInChI=1S/C13H22N2/c1-2-4-12(14)6-3-5-11-7-9-13(15)10-8-11/h7-10,12H,2-6,14-15H2,1H3
InChIKeyNLCNIMGFOLHFRI-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.72
Rot. Bonds6

About 4-(4-aminoheptyl)aniline

4-(4-aminoheptyl)aniline (PubChem CID 83928416) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(4-aminoheptyl)aniline.

Molecular Properties

Compound Name4-(4-aminoheptyl)aniline
PubChem CID83928416
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-(4-aminoheptyl)aniline
SMILESCCCC(N)CCCc1ccc(N)cc1
InChIInChI=1S/C13H22N2/c1-2-4-12(14)6-3-5-11-7-9-13(15)10-8-11/h7-10,12H,2-6,14-15H2,1H3
InChIKeyNLCNIMGFOLHFRI-UHFFFAOYSA-N
XLogP2.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)heptan-4-amine
CID 83932178
1-(3,4-dimethylphenyl)heptan-4-amine
CID 64503666
4-[1-[4-[15-[4-[1-(4-aminophenyl)butyl]phenyl]pentadecyl]phenyl]butyl]aniline
CID 22919336
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
8-(4-methoxyphenyl)octan-4-amine
CID 65442846
8-(4-hexylphenyl)octan-4-amine;methanol;methoxymethane
CID 142803034
1-phenyloctan-4-amine
CID 79413314
1-(3-bromo-4-methylphenyl)heptan-4-amine
CID 83924298
4-(4-aminoheptyl)-2-methylphenol
CID 83922946
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-[1-[4-[11-[4-[1-(4-aminophenyl)pentyl]phenyl]undecyl]phenyl]pentyl]aniline
CID 22919313

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminoheptyl)aniline?
The IUPAC name of 4-(4-aminoheptyl)aniline (CID 83928416) is 4-(4-aminoheptyl)aniline.
What is the SMILES notation for 4-(4-aminoheptyl)aniline?
The canonical SMILES for 4-(4-aminoheptyl)aniline is CCCC(N)CCCc1ccc(N)cc1.
What is the InChIKey of 4-(4-aminoheptyl)aniline?
The InChIKey is NLCNIMGFOLHFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-4-12(14)6-3-5-11-7-9-13(15)10-8-11/h7-10,12H,2-6,14-15H2,1H3.
What are the key properties of 4-(4-aminoheptyl)aniline?
4-(4-aminoheptyl)aniline has a molecular weight of 206.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminoheptyl)aniline is sourced from PubChem (CID 83928416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).