N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline

C19H32N2 — CID 63404368

IUPACN-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline
SMILESCCCC1CCC(CN)C(N(CC)c2cccc(C)c2)C1
InChIInChI=1S/C19H32N2/c1-4-7-16-10-11-17(14-20)19(13-16)21(5-2)18-9-6-8-15(3)12-18/h6,8-9,12,16-17,19H,4-5,7,10-11,13-14,20H2,1-3H3
InChIKeyBQNNTOJGPZFWPP-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.37
Rot. Bonds6

About N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline

N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline (PubChem CID 63404368) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline
PubChem CID63404368
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline
SMILESCCCC1CCC(CN)C(N(CC)c2cccc(C)c2)C1
InChIInChI=1S/C19H32N2/c1-4-7-16-10-11-17(14-20)19(13-16)21(5-2)18-9-6-8-15(3)12-18/h6,8-9,12,16-17,19H,4-5,7,10-11,13-14,20H2,1-3H3
InChIKeyBQNNTOJGPZFWPP-UHFFFAOYSA-N
XLogP4.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline?
The IUPAC name of N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline (CID 63404368) is N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline.
What is the SMILES notation for N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline?
The canonical SMILES for N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline is CCCC1CCC(CN)C(N(CC)c2cccc(C)c2)C1.
What is the InChIKey of N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline?
The InChIKey is BQNNTOJGPZFWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-4-7-16-10-11-17(14-20)19(13-16)21(5-2)18-9-6-8-15(3)12-18/h6,8-9,12,16-17,19H,4-5,7,10-11,13-14,20H2,1-3H3.
What are the key properties of N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline?
N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline has a molecular weight of 288.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline is sourced from PubChem (CID 63404368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).