2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine

C18H30N2 — CID 63483965

IUPAC2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine
SMILESCCN(CC1CCCCCC1NC)c1ccccc1C
InChIInChI=1S/C18H30N2/c1-4-20(18-13-9-8-10-15(18)2)14-16-11-6-5-7-12-17(16)19-3/h8-10,13,16-17,19H,4-7,11-12,14H2,1-3H3
InChIKeyJSWBLHRNMZNMGI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.99
Rot. Bonds5

About 2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine

2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine (PubChem CID 63483965) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine
PubChem CID63483965
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine
SMILESCCN(CC1CCCCCC1NC)c1ccccc1C
InChIInChI=1S/C18H30N2/c1-4-20(18-13-9-8-10-15(18)2)14-16-11-6-5-7-12-17(16)19-3/h8-10,13,16-17,19H,4-7,11-12,14H2,1-3H3
InChIKeyJSWBLHRNMZNMGI-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63484140
N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline
CID 63483418
2-[(2-methoxy-N-methylanilino)methyl]-N-methylcycloheptan-1-amine
CID 62611373
N-ethyl-2-methyl-N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62425314
N-ethyl-2-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 28598067
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethyl-2-methylaniline
CID 79866942
2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 62614486
2-[(N-ethyl-2-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63495843
2-[[cyclopentyl(ethyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62615779
2-methoxy-N-methyl-N-[[2-(methylamino)cyclopentyl]methyl]aniline
CID 62611202
N-methyl-N-[[2-(methylamino)cyclohexyl]methyl]cycloheptanamine
CID 62614949
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-ethyl-2-methylaniline
CID 79318520

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine (CID 63483965) is 2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine is CCN(CC1CCCCCC1NC)c1ccccc1C.
What is the InChIKey of 2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine?
The InChIKey is JSWBLHRNMZNMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-20(18-13-9-8-10-15(18)2)14-16-11-6-5-7-12-17(16)19-3/h8-10,13,16-17,19H,4-7,11-12,14H2,1-3H3.
What are the key properties of 2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine?
2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-2-methylanilino)methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 63483965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).