2,3-dimethyl-N-nonan-2-ylaniline

C17H29N — CID 43129897

IUPAC2,3-dimethyl-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cccc(C)c1C
InChIInChI=1S/C17H29N/c1-5-6-7-8-9-12-15(3)18-17-13-10-11-14(2)16(17)4/h10-11,13,15,18H,5-9,12H2,1-4H3
InChIKeyQNUOPPLZBNTYDB-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.46
Rot. Bonds8

About 2,3-dimethyl-N-nonan-2-ylaniline

2,3-dimethyl-N-nonan-2-ylaniline (PubChem CID 43129897) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2,3-dimethyl-N-nonan-2-ylaniline.

Molecular Properties

Compound Name2,3-dimethyl-N-nonan-2-ylaniline
PubChem CID43129897
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2,3-dimethyl-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1cccc(C)c1C
InChIInChI=1S/C17H29N/c1-5-6-7-8-9-12-15(3)18-17-13-10-11-14(2)16(17)4/h10-11,13,15,18H,5-9,12H2,1-4H3
InChIKeyQNUOPPLZBNTYDB-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.46
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

3-N-heptan-2-yl-2-methylbenzene-1,3-diamine
CID 63076426
3-N-(2,3-dimethylphenyl)butane-1,3-diamine
CID 117027018
N,2-dimethyl-3-(nonan-2-ylamino)benzamide
CID 43734562
2-bromo-N-nonan-2-ylaniline
CID 43129843
hexane;1,2,3-trimethylbenzene
CID 159405289
2-(2,3-dimethylanilino)propan-1-ol
CID 21221760
3-fluoro-2-iodo-N-octan-2-ylaniline
CID 114258341
N-octan-2-yl-2-(trifluoromethyl)aniline
CID 43129732
2-(nonan-2-ylamino)benzonitrile
CID 43129839
3-fluoro-1-N-heptan-2-ylbenzene-1,2-diamine
CID 61464315
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
[2-(heptan-2-ylamino)phenyl]methanol
CID 43743067

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-nonan-2-ylaniline?
The IUPAC name of 2,3-dimethyl-N-nonan-2-ylaniline (CID 43129897) is 2,3-dimethyl-N-nonan-2-ylaniline.
What is the SMILES notation for 2,3-dimethyl-N-nonan-2-ylaniline?
The canonical SMILES for 2,3-dimethyl-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1cccc(C)c1C.
What is the InChIKey of 2,3-dimethyl-N-nonan-2-ylaniline?
The InChIKey is QNUOPPLZBNTYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-6-7-8-9-12-15(3)18-17-13-10-11-14(2)16(17)4/h10-11,13,15,18H,5-9,12H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-nonan-2-ylaniline?
2,3-dimethyl-N-nonan-2-ylaniline has a molecular weight of 247.43 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-nonan-2-ylaniline is sourced from PubChem (CID 43129897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).