N-heptyl-N-methylaniline

C14H23N — CID 54015540

IUPACN-heptyl-N-methylaniline
SMILESCCCCCCCN(C)c1ccccc1
InChIInChI=1S/C14H23N/c1-3-4-5-6-10-13-15(2)14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3
InChIKeyVKMRIMNESXZUNN-UHFFFAOYSA-N
MW205.35 g/mol
LogP4.09
Rot. Bonds7

About N-heptyl-N-methylaniline

N-heptyl-N-methylaniline (PubChem CID 54015540) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N-heptyl-N-methylaniline.

Molecular Properties

Compound NameN-heptyl-N-methylaniline
PubChem CID54015540
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN-heptyl-N-methylaniline
SMILESCCCCCCCN(C)c1ccccc1
InChIInChI=1S/C14H23N/c1-3-4-5-6-10-13-15(2)14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3
InChIKeyVKMRIMNESXZUNN-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
N-dodecyl-N-methylaniline;pyridine
CID 22157792
N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine
CID 59961378
N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
butane;N-octyl-N-phenylaniline
CID 175431375
N-hexyl-N-methyl-4-[[4-(2-phenylethyl)phenyl]diazenyl]aniline
CID 71322290
N-dodecyl-N-phenylhydroxylamine
CID 159931126
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
N-(fluoromethyl)-N-hexylaniline
CID 22637345

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N-methylaniline?
The IUPAC name of N-heptyl-N-methylaniline (CID 54015540) is N-heptyl-N-methylaniline.
What is the SMILES notation for N-heptyl-N-methylaniline?
The canonical SMILES for N-heptyl-N-methylaniline is CCCCCCCN(C)c1ccccc1.
What is the InChIKey of N-heptyl-N-methylaniline?
The InChIKey is VKMRIMNESXZUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-4-5-6-10-13-15(2)14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3.
What are the key properties of N-heptyl-N-methylaniline?
N-heptyl-N-methylaniline has a molecular weight of 205.35 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-methylaniline is sourced from PubChem (CID 54015540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).