4-[[hexyl(propyl)amino]methyl]aniline

C16H28N2 — CID 43383965

IUPAC4-[[hexyl(propyl)amino]methyl]aniline
SMILESCCCCCCN(CCC)Cc1ccc(N)cc1
InChIInChI=1S/C16H28N2/c1-3-5-6-7-13-18(12-4-2)14-15-8-10-16(17)11-9-15/h8-11H,3-7,12-14,17H2,1-2H3
InChIKeyRYEAFQBPBZCXEX-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.06
Rot. Bonds9

About 4-[[hexyl(propyl)amino]methyl]aniline

4-[[hexyl(propyl)amino]methyl]aniline (PubChem CID 43383965) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-[[hexyl(propyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[hexyl(propyl)amino]methyl]aniline
PubChem CID43383965
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-[[hexyl(propyl)amino]methyl]aniline
SMILESCCCCCCN(CCC)Cc1ccc(N)cc1
InChIInChI=1S/C16H28N2/c1-3-5-6-7-13-18(12-4-2)14-15-8-10-16(17)11-9-15/h8-11H,3-7,12-14,17H2,1-2H3
InChIKeyRYEAFQBPBZCXEX-UHFFFAOYSA-N
XLogP4.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[pentyl(propyl)amino]methyl]aniline;prop-1-ene
CID 171834524
4-[[decyl(ethyl)amino]methyl]aniline
CID 63532932
4-[[ethyl(octyl)amino]methyl]aniline
CID 43458886
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012
N-benzyl-N-propylhexan-1-amine
CID 123983090
N-[(4-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426449
4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline
CID 61029995
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
N-dodecyl-N-[(4-ethenylphenyl)methyl]dodecan-1-amine
CID 14420666
N'-benzyl-N'-hexadecylethane-1,2-diamine
CID 22067437
N-[(4-ethenylphenyl)methyl]-N-nonylnonan-1-amine
CID 14420661
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424

Frequently Asked Questions

What is the IUPAC name of 4-[[hexyl(propyl)amino]methyl]aniline?
The IUPAC name of 4-[[hexyl(propyl)amino]methyl]aniline (CID 43383965) is 4-[[hexyl(propyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[hexyl(propyl)amino]methyl]aniline?
The canonical SMILES for 4-[[hexyl(propyl)amino]methyl]aniline is CCCCCCN(CCC)Cc1ccc(N)cc1.
What is the InChIKey of 4-[[hexyl(propyl)amino]methyl]aniline?
The InChIKey is RYEAFQBPBZCXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-5-6-7-13-18(12-4-2)14-15-8-10-16(17)11-9-15/h8-11H,3-7,12-14,17H2,1-2H3.
What are the key properties of 4-[[hexyl(propyl)amino]methyl]aniline?
4-[[hexyl(propyl)amino]methyl]aniline has a molecular weight of 248.41 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[hexyl(propyl)amino]methyl]aniline is sourced from PubChem (CID 43383965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).