N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline

C16H28N2 — CID 174940718

IUPACN-ethyl-2-methylcyclohexan-1-amine;2-methylaniline
SMILESCCNC1CCCCC1C.Cc1ccccc1N
InChIInChI=1S/C9H19N.C7H9N/c1-3-10-9-7-5-4-6-8(9)2;1-6-4-2-3-5-7(6)8/h8-10H,3-7H2,1-2H3;2-5H,8H2,1H3
InChIKeyNOCWHEPADIMDTO-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.75
Rot. Bonds2

About N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline

N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline (PubChem CID 174940718) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline.

Molecular Properties

Compound NameN-ethyl-2-methylcyclohexan-1-amine;2-methylaniline
PubChem CID174940718
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-2-methylcyclohexan-1-amine;2-methylaniline
SMILESCCNC1CCCCC1C.Cc1ccccc1N
InChIInChI=1S/C9H19N.C7H9N/c1-3-10-9-7-5-4-6-8(9)2;1-6-4-2-3-5-7(6)8/h8-10H,3-7H2,1-2H3;2-5H,8H2,1H3
InChIKeyNOCWHEPADIMDTO-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283
trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 115550519
bis(2-methylaniline);propane
CID 158079245
ethane;2-methylaniline;propane
CID 144801075
N-ethyl-2-(2-methylphenyl)sulfinylcycloheptan-1-amine
CID 64656783
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2-[[(2,3-dimethylcyclohexyl)amino]methyl]aniline
CID 66386630
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline?
The IUPAC name of N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline (CID 174940718) is N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline.
What is the SMILES notation for N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline?
The canonical SMILES for N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline is CCNC1CCCCC1C.Cc1ccccc1N.
What is the InChIKey of N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline?
The InChIKey is NOCWHEPADIMDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C7H9N/c1-3-10-9-7-5-4-6-8(9)2;1-6-4-2-3-5-7(6)8/h8-10H,3-7H2,1-2H3;2-5H,8H2,1H3.
What are the key properties of N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline?
N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline is sourced from PubChem (CID 174940718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).