N-tridecan-6-ylaniline

C19H33N — CID 151143089

IUPACN-tridecan-6-ylaniline
SMILESCCCCCCCC(CCCCC)Nc1ccccc1
InChIInChI=1S/C19H33N/c1-3-5-7-8-11-15-18(14-10-6-4-2)20-19-16-12-9-13-17-19/h9,12-13,16-18,20H,3-8,10-11,14-15H2,1-2H3
InChIKeyMWPMLHLIPNVROO-UHFFFAOYSA-N
MW275.48 g/mol
LogP6.41
Rot. Bonds12

About N-tridecan-6-ylaniline

N-tridecan-6-ylaniline (PubChem CID 151143089) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-tridecan-6-ylaniline.

Molecular Properties

Compound NameN-tridecan-6-ylaniline
PubChem CID151143089
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-tridecan-6-ylaniline
SMILESCCCCCCCC(CCCCC)Nc1ccccc1
InChIInChI=1S/C19H33N/c1-3-5-7-8-11-15-18(14-10-6-4-2)20-19-16-12-9-13-17-19/h9,12-13,16-18,20H,3-8,10-11,14-15H2,1-2H3
InChIKeyMWPMLHLIPNVROO-UHFFFAOYSA-N
XLogP6.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.41
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

N-undecan-3-ylaniline
CID 171755615
(2S)-2-anilinooctan-1-ol
CID 135056963
N-octan-4-ylaniline
CID 12779854
1-N,2-N-diphenyldodecane-1,2-diamine
CID 10784226
1-anilinohexadecan-1-ol
CID 173133122
CID 174010582
CID 174010582
N-decan-4-yl-4-[[4-(decan-4-ylamino)phenyl]disulfanyl]aniline
CID 88842040
N-benzyltridecan-6-amine
CID 166644944
ethyl (2R)-2-anilinotridecanoate
CID 155931058
methyl 2-anilinooctanoate
CID 54889679
N-tridecan-6-ylpyridin-2-amine
CID 170412016
N-[(2R,3R)-3-methylheptan-2-yl]aniline
CID 10646032

Frequently Asked Questions

What is the IUPAC name of N-tridecan-6-ylaniline?
The IUPAC name of N-tridecan-6-ylaniline (CID 151143089) is N-tridecan-6-ylaniline.
What is the SMILES notation for N-tridecan-6-ylaniline?
The canonical SMILES for N-tridecan-6-ylaniline is CCCCCCCC(CCCCC)Nc1ccccc1.
What is the InChIKey of N-tridecan-6-ylaniline?
The InChIKey is MWPMLHLIPNVROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-5-7-8-11-15-18(14-10-6-4-2)20-19-16-12-9-13-17-19/h9,12-13,16-18,20H,3-8,10-11,14-15H2,1-2H3.
What are the key properties of N-tridecan-6-ylaniline?
N-tridecan-6-ylaniline has a molecular weight of 275.48 g/mol, XLogP of 6.41, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tridecan-6-ylaniline is sourced from PubChem (CID 151143089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).