N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline

C15H16F9N — CID 4672414

IUPACN-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline
SMILESCC(C)C(N(C)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H16F9N/c1-9(2)11(25(3)10-7-5-4-6-8-10)12(16,17)13(18,19)14(20,21)15(22,23)24/h4-9,11H,1-3H3
InChIKeyULPFYHVSHPDVCW-UHFFFAOYSA-N
MW381.28 g/mol
LogP5.62
Rot. Bonds6

About N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline

N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline (PubChem CID 4672414) has the molecular formula C15H16F9N and a molecular weight of 381.28 g/mol. Its IUPAC name is N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline.

Molecular Properties

Compound NameN-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline
PubChem CID4672414
Molecular FormulaC15H16F9N
Molecular Weight381.28 g/mol
Exact Mass381.11
IUPAC NameN-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline
SMILESCC(C)C(N(C)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H16F9N/c1-9(2)11(25(3)10-7-5-4-6-8-10)12(16,17)13(18,19)14(20,21)15(22,23)24/h4-9,11H,1-3H3
InChIKeyULPFYHVSHPDVCW-UHFFFAOYSA-N
XLogP5.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.28
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 134941806
N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-phenylaniline
CID 14926288
1,1,1,3,3,3-hexafluoro-2-N,2-N'-dimethyl-2-N,2-N'-diphenylpropane-2,2-diamine
CID 161199121
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-methylaniline
CID 158801377
(1-ethoxy-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)benzene
CID 132503955
(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iodooctyl)benzene
CID 132820969
3-(N-methylanilino)butanoic acid
CID 72755664
4,4,5,5,6,6,6-heptafluorohexan-3-ylbenzene
CID 174807736
N,N'-dimethyl-N,N',1,3-tetraphenylpropane-1,3-diamine
CID 20668858
(2S)-2-(N-methylanilino)propanal
CID 21019512
1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane
CID 87315468
N,N'-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N,N'-bis[(1S)-1-phenylethyl]ethane-1,2-diamine
CID 11815681

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline?
The IUPAC name of N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline (CID 4672414) is N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline.
What is the SMILES notation for N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline?
The canonical SMILES for N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline is CC(C)C(N(C)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline?
The InChIKey is ULPFYHVSHPDVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F9N/c1-9(2)11(25(3)10-7-5-4-6-8-10)12(16,17)13(18,19)14(20,21)15(22,23)24/h4-9,11H,1-3H3.
What are the key properties of N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline?
N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline has a molecular weight of 381.28 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptan-3-yl)aniline is sourced from PubChem (CID 4672414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).