N-(4-methyldecan-4-yl)aniline

C17H29N — CID 166741267

IUPACN-(4-methyldecan-4-yl)aniline
SMILESCCCCCCC(C)(CCC)Nc1ccccc1
InChIInChI=1S/C17H29N/c1-4-6-7-11-15-17(3,14-5-2)18-16-12-9-8-10-13-16/h8-10,12-13,18H,4-7,11,14-15H2,1-3H3
InChIKeyVOOGVSMCCFYZGJ-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.63
Rot. Bonds9

About N-(4-methyldecan-4-yl)aniline

N-(4-methyldecan-4-yl)aniline (PubChem CID 166741267) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-(4-methyldecan-4-yl)aniline.

Molecular Properties

Compound NameN-(4-methyldecan-4-yl)aniline
PubChem CID166741267
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-(4-methyldecan-4-yl)aniline
SMILESCCCCCCC(C)(CCC)Nc1ccccc1
InChIInChI=1S/C17H29N/c1-4-6-7-11-15-17(3,14-5-2)18-16-12-9-8-10-13-16/h8-10,12-13,18H,4-7,11,14-15H2,1-3H3
InChIKeyVOOGVSMCCFYZGJ-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
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-(2-methyltridecan-2-yl)aniline
CID 67784312
2-anilino-2-methylpentan-1-ol
CID 61046243
2-methyl-2-N-phenylpentane-1,2-diamine
CID 65379502
2-anilino-2-decyltridecanoic acid
CID 139977207
2-methyl-2-N-(4-methylphenyl)octane-1,2-diamine
CID 65377345
methyl 2-anilino-2-methyloctanoate
CID 54890030
N-(3-methyloctan-3-yl)pyridin-4-amine
CID 134415197
2-(3-bromoanilino)-2-methylnonan-1-ol
CID 55198657
N-nonadecylaniline
CID 54509054
2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine
CID 80557635
N-heptylaniline;hydrate
CID 174886464
ethyl 2-anilino-2-methylheptanoate
CID 80558019

Frequently Asked Questions

What is the IUPAC name of N-(4-methyldecan-4-yl)aniline?
The IUPAC name of N-(4-methyldecan-4-yl)aniline (CID 166741267) is N-(4-methyldecan-4-yl)aniline.
What is the SMILES notation for N-(4-methyldecan-4-yl)aniline?
The canonical SMILES for N-(4-methyldecan-4-yl)aniline is CCCCCCC(C)(CCC)Nc1ccccc1.
What is the InChIKey of N-(4-methyldecan-4-yl)aniline?
The InChIKey is VOOGVSMCCFYZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-6-7-11-15-17(3,14-5-2)18-16-12-9-8-10-13-16/h8-10,12-13,18H,4-7,11,14-15H2,1-3H3.
What are the key properties of N-(4-methyldecan-4-yl)aniline?
N-(4-methyldecan-4-yl)aniline has a molecular weight of 247.43 g/mol, XLogP of 5.63, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyldecan-4-yl)aniline is sourced from PubChem (CID 166741267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).