2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide

C16H32N2O2 — CID 65052494

IUPAC2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)OC1(CN)CCCC(C)C1
InChIInChI=1S/C16H32N2O2/c1-6-15(4,5)18-14(19)13(3)20-16(11-17)9-7-8-12(2)10-16/h12-13H,6-11,17H2,1-5H3,(H,18,19)
InChIKeyNJAQVRJEIRAZGQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.60
Rot. Bonds6

About 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide

2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide (PubChem CID 65052494) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide
PubChem CID65052494
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)OC1(CN)CCCC(C)C1
InChIInChI=1S/C16H32N2O2/c1-6-15(4,5)18-14(19)13(3)20-16(11-17)9-7-8-12(2)10-16/h12-13H,6-11,17H2,1-5H3,(H,18,19)
InChIKeyNJAQVRJEIRAZGQ-UHFFFAOYSA-N
XLogP2.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide
CID 65052926
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-(azepan-1-yl)propan-1-one
CID 65052541
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide
CID 65052349
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 63753681
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylbutan-2-yl)propanamide
CID 64548742
2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
CID 65051480
ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate
CID 65050515
2-[1-(aminomethyl)cyclopentyl]oxy-N-butylpropanamide
CID 65051029
[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine
CID 65093651
[1-(2-hydroxy-2-methylbutyl)-3-methylcyclohexyl] 2,4-dimethyl-2-propan-2-yl-4-sulfanylpentanoate
CID 175624390
methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
CID 63766942

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide (CID 65052494) is 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)OC1(CN)CCCC(C)C1.
What is the InChIKey of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is NJAQVRJEIRAZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-15(4,5)18-14(19)13(3)20-16(11-17)9-7-8-12(2)10-16/h12-13H,6-11,17H2,1-5H3,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide?
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 284.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 65052494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).