3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide

C14H29N3O — CID 106914850

IUPAC3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide
SMILESCCC1CCC(CN)C(N(C)CCC(=O)NC)C1
InChIInChI=1S/C14H29N3O/c1-4-11-5-6-12(10-15)13(9-11)17(3)8-7-14(18)16-2/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyPJIGWIPEQLYDOO-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.21
Rot. Bonds6

About 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide

3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide (PubChem CID 106914850) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide
PubChem CID106914850
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide
SMILESCCC1CCC(CN)C(N(C)CCC(=O)NC)C1
InChIInChI=1S/C14H29N3O/c1-4-11-5-6-12(10-15)13(9-11)17(3)8-7-14(18)16-2/h11-13H,4-10,15H2,1-3H3,(H,16,18)
InChIKeyPJIGWIPEQLYDOO-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide (CID 106914850) is 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide is CCC1CCC(CN)C(N(C)CCC(=O)NC)C1.
What is the InChIKey of 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide?
The InChIKey is PJIGWIPEQLYDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-11-5-6-12(10-15)13(9-11)17(3)8-7-14(18)16-2/h11-13H,4-10,15H2,1-3H3,(H,16,18).
What are the key properties of 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide?
3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide has a molecular weight of 255.41 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).