2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide

C16H32N2O2 — CID 65052232

IUPAC2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide
SMILESCC(OC1(CN)CCC(C(C)(C)C)CC1)C(=O)N(C)C
InChIInChI=1S/C16H32N2O2/c1-12(14(19)18(5)6)20-16(11-17)9-7-13(8-10-16)15(2,3)4/h12-13H,7-11,17H2,1-6H3
InChIKeyLVOYUHDOHIIMTL-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.41
Rot. Bonds4

About 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide

2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide (PubChem CID 65052232) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide
PubChem CID65052232
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide
SMILESCC(OC1(CN)CCC(C(C)(C)C)CC1)C(=O)N(C)C
InChIInChI=1S/C16H32N2O2/c1-12(14(19)18(5)6)20-16(11-17)9-7-13(8-10-16)15(2,3)4/h12-13H,7-11,17H2,1-6H3
InChIKeyLVOYUHDOHIIMTL-UHFFFAOYSA-N
XLogP2.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
CID 65050602
ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate
CID 65050515
2-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]oxypropanamide
CID 65052713
[4-tert-butyl-1-(3-methylbutoxy)cyclohexyl]methanamine
CID 55192678
ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
CID 65052370
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide
CID 65051264
[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine
CID 65052867
methyl 3-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxypropanoate
CID 65052721
[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine
CID 65052671
(4-tert-butyl-1-cyclobutyloxycyclohexyl)methanamine
CID 62383311
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2-hydroxyacetic acid
CID 79123755
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65051160

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide?
The IUPAC name of 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide (CID 65052232) is 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide?
The canonical SMILES for 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide is CC(OC1(CN)CCC(C(C)(C)C)CC1)C(=O)N(C)C.
What is the InChIKey of 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide?
The InChIKey is LVOYUHDOHIIMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(14(19)18(5)6)20-16(11-17)9-7-13(8-10-16)15(2,3)4/h12-13H,7-11,17H2,1-6H3.
What are the key properties of 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide?
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide has a molecular weight of 284.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide is sourced from PubChem (CID 65052232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).