N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine

C19H32N2 — CID 63494639

IUPACN-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)c1ccc(C)cc1C
InChIInChI=1S/C19H32N2/c1-5-20-18-10-8-6-7-9-17(18)14-21(4)19-12-11-15(2)13-16(19)3/h11-13,17-18,20H,5-10,14H2,1-4H3
InChIKeyMESLWROOWVTCKL-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.30
Rot. Bonds5

About N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine

N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine (PubChem CID 63494639) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine
PubChem CID63494639
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine
SMILESCCNC1CCCCCC1CN(C)c1ccc(C)cc1C
InChIInChI=1S/C19H32N2/c1-5-20-18-10-8-6-7-9-17(18)14-21(4)19-12-11-15(2)13-16(19)3/h11-13,17-18,20H,5-10,14H2,1-4H3
InChIKeyMESLWROOWVTCKL-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,4-trimethyl-N-[[2-(methylamino)cyclopentyl]methyl]aniline
CID 62609293
N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine
CID 103059446
2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol
CID 79848900
N-[[2-(ethylamino)cyclohexyl]methyl]-2-methoxy-N-methylaniline
CID 62614958
2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol
CID 79856196
N,2,4-trimethyl-N-[2-[2-(methylamino)cyclopentyl]ethyl]aniline
CID 79565020
2-[(N,3-dimethylanilino)methyl]-N-propylcycloheptan-1-amine
CID 63495171
N,4-dimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494623
N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline
CID 79849339
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221380
N-cyclopentyl-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 62563445

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine (CID 63494639) is N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine is CCNC1CCCCCC1CN(C)c1ccc(C)cc1C.
What is the InChIKey of N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine?
The InChIKey is MESLWROOWVTCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-20-18-10-8-6-7-9-17(18)14-21(4)19-12-11-15(2)13-16(19)3/h11-13,17-18,20H,5-10,14H2,1-4H3.
What are the key properties of N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine?
N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine is sourced from PubChem (CID 63494639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).