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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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).