N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline

C18H30N2 — CID 63470782

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline
SMILESCCC1CCC(CN)(N(CC)c2cccc(C)c2)CC1
InChIInChI=1S/C18H30N2/c1-4-16-9-11-18(14-19,12-10-16)20(5-2)17-8-6-7-15(3)13-17/h6-8,13,16H,4-5,9-12,14,19H2,1-3H3
InChIKeyTZKYQQCTHRWDGM-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.12
Rot. Bonds5

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline (PubChem CID 63470782) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline
PubChem CID63470782
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline
SMILESCCC1CCC(CN)(N(CC)c2cccc(C)c2)CC1
InChIInChI=1S/C18H30N2/c1-4-16-9-11-18(14-19,12-10-16)20(5-2)17-8-6-7-15(3)13-17/h6-8,13,16H,4-5,9-12,14,19H2,1-3H3
InChIKeyTZKYQQCTHRWDGM-UHFFFAOYSA-N
XLogP4.12
TPSA29.26 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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline (CID 63470782) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline is CCC1CCC(CN)(N(CC)c2cccc(C)c2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline?
The InChIKey is TZKYQQCTHRWDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-16-9-11-18(14-19,12-10-16)20(5-2)17-8-6-7-15(3)13-17/h6-8,13,16H,4-5,9-12,14,19H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline has a molecular weight of 274.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline is sourced from PubChem (CID 63470782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).