N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline

C18H30N2 — CID 64762938

IUPACN-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline
SMILESCCN(c1ccc(C)cc1)C1(CN)CCC(C)CC1C
InChIInChI=1S/C18H30N2/c1-5-20(17-8-6-14(2)7-9-17)18(13-19)11-10-15(3)12-16(18)4/h6-9,15-16H,5,10-13,19H2,1-4H3
InChIKeyVOCURBVSAKGZID-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.97
Rot. Bonds4

About N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline

N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline (PubChem CID 64762938) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline
PubChem CID64762938
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline
SMILESCCN(c1ccc(C)cc1)C1(CN)CCC(C)CC1C
InChIInChI=1S/C18H30N2/c1-5-20(17-8-6-14(2)7-9-17)18(13-19)11-10-15(3)12-16(18)4/h6-9,15-16H,5,10-13,19H2,1-4H3
InChIKeyVOCURBVSAKGZID-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline (CID 64762938) is N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline is CCN(c1ccc(C)cc1)C1(CN)CCC(C)CC1C.
What is the InChIKey of N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline?
The InChIKey is VOCURBVSAKGZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-20(17-8-6-14(2)7-9-17)18(13-19)11-10-15(3)12-16(18)4/h6-9,15-16H,5,10-13,19H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline?
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline has a molecular weight of 274.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline is sourced from PubChem (CID 64762938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).