N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide

C12H24N2O2 — CID 106123178

IUPACN-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCC1CCCC(N)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,16-3)11(15)14-8-9-5-4-6-10(13)7-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyIYNHIFNNCVHHAW-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds4

About N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide

N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide (PubChem CID 106123178) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide
PubChem CID106123178
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NCC1CCCC(N)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,16-3)11(15)14-8-9-5-4-6-10(13)7-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyIYNHIFNNCVHHAW-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-aminocyclopentyl)methyl]-2-methoxy-2-methylpropanamide
CID 103022530
N-(2-cyclobutylethyl)-2-methoxy-2-methylpropanamide
CID 103747323
N-[(4-hydroxycyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123782
N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106123823
N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide
CID 106123888
4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103018968
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxy-2-methylpropanamide
CID 103021126
N-[(2-hydroxycyclopentyl)methyl]-2-methoxy-2-methylpropanamide
CID 103708572
2-methoxy-2-methyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107420812
2-amino-N-(cyclopentylmethyl)-2-methylpropanamide
CID 61266758
N-[(3-hydroxycyclohexyl)methyl]-2-methoxy-2-methylbutanamide
CID 114094384
1-[(3-aminocyclohexyl)methyl]-3-cyclobutylurea
CID 106125254

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide (CID 106123178) is N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NCC1CCCC(N)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide?
The InChIKey is IYNHIFNNCVHHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,16-3)11(15)14-8-9-5-4-6-10(13)7-9/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide?
N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 106123178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).