N-undecan-3-ylaniline

C17H29N — CID 171755615

IUPACN-undecan-3-ylaniline
SMILESCCCCCCCCC(CC)Nc1ccccc1
InChIInChI=1S/C17H29N/c1-3-5-6-7-8-10-13-16(4-2)18-17-14-11-9-12-15-17/h9,11-12,14-16,18H,3-8,10,13H2,1-2H3
InChIKeyRFAQSPRYICOXFF-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.63
Rot. Bonds10

About N-undecan-3-ylaniline

N-undecan-3-ylaniline (PubChem CID 171755615) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-undecan-3-ylaniline.

Molecular Properties

Compound NameN-undecan-3-ylaniline
PubChem CID171755615
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-undecan-3-ylaniline
SMILESCCCCCCCCC(CC)Nc1ccccc1
InChIInChI=1S/C17H29N/c1-3-5-6-7-8-10-13-16(4-2)18-17-14-11-9-12-15-17/h9,11-12,14-16,18H,3-8,10,13H2,1-2H3
InChIKeyRFAQSPRYICOXFF-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.63
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-tridecan-6-ylaniline
CID 151143089
(2S)-2-anilinooctan-1-ol
CID 135056963
1-N,2-N-diphenyldodecane-1,2-diamine
CID 10784226
N-octan-4-ylaniline
CID 12779854
4-fluoro-N-octan-3-ylaniline
CID 150524995
1-anilinohexadecan-1-ol
CID 173133122
N-octan-3-yl-1-[16-[4-(octan-3-ylamino)pyridin-1-ium-1-yl]hexadecyl]pyridin-1-ium-4-amine
CID 57132905
ethyl 4-(hexadecan-3-ylamino)benzoate
CID 23457806
N-benzyltridecan-6-amine
CID 166644944
N-(1-phenylpropyl)undecan-6-amine
CID 63477274
ethyl (2R)-2-anilinotridecanoate
CID 155931058
benzyl-(henicosan-3-ylamino)-dimethylazanium
CID 174618972

Frequently Asked Questions

What is the IUPAC name of N-undecan-3-ylaniline?
The IUPAC name of N-undecan-3-ylaniline (CID 171755615) is N-undecan-3-ylaniline.
What is the SMILES notation for N-undecan-3-ylaniline?
The canonical SMILES for N-undecan-3-ylaniline is CCCCCCCCC(CC)Nc1ccccc1.
What is the InChIKey of N-undecan-3-ylaniline?
The InChIKey is RFAQSPRYICOXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-3-5-6-7-8-10-13-16(4-2)18-17-14-11-9-12-15-17/h9,11-12,14-16,18H,3-8,10,13H2,1-2H3.
What are the key properties of N-undecan-3-ylaniline?
N-undecan-3-ylaniline has a molecular weight of 247.43 g/mol, XLogP of 5.63, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-undecan-3-ylaniline is sourced from PubChem (CID 171755615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).