2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide

C17H34N2O2 — CID 65052321

IUPAC2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide
SMILESCCCC1CCC(CN)(OCC(=O)NC(CC)CC)CC1
InChIInChI=1S/C17H34N2O2/c1-4-7-14-8-10-17(13-18,11-9-14)21-12-16(20)19-15(5-2)6-3/h14-15H,4-13,18H2,1-3H3,(H,19,20)
InChIKeyRAQBFJKDLZPDHJ-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.00
Rot. Bonds9

About 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide

2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide (PubChem CID 65052321) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide
PubChem CID65052321
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide
SMILESCCCC1CCC(CN)(OCC(=O)NC(CC)CC)CC1
InChIInChI=1S/C17H34N2O2/c1-4-7-14-8-10-17(13-18,11-9-14)21-12-16(20)19-15(5-2)6-3/h14-15H,4-13,18H2,1-3H3,(H,19,20)
InChIKeyRAQBFJKDLZPDHJ-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 65052464
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N,N-diethylacetamide
CID 65052460
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone
CID 65052366
ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
CID 65052370
[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036534
(1-methoxy-4-propylcycloheptyl)methanamine
CID 66073417
[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine
CID 113436771
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide
CID 65050836
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide
CID 65052090
2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide
CID 65051633
2-[1-(aminomethyl)cyclopentyl]oxy-N-propylacetamide
CID 65050921

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide?
The IUPAC name of 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide (CID 65052321) is 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide is CCCC1CCC(CN)(OCC(=O)NC(CC)CC)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide?
The InChIKey is RAQBFJKDLZPDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-4-7-14-8-10-17(13-18,11-9-14)21-12-16(20)19-15(5-2)6-3/h14-15H,4-13,18H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide?
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide has a molecular weight of 298.47 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide is sourced from PubChem (CID 65052321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).