3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide

C12H24N2O2 — CID 119786339

IUPAC3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide
SMILESCOC1CCC(N(C)C(=O)CC(C)N)CC1
InChIInChI=1S/C12H24N2O2/c1-9(13)8-12(15)14(2)10-4-6-11(16-3)7-5-10/h9-11H,4-8,13H2,1-3H3
InChIKeyLUYQDPCSEHXRQN-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds4

About 3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide

3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide (PubChem CID 119786339) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide
PubChem CID119786339
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide
SMILESCOC1CCC(N(C)C(=O)CC(C)N)CC1
InChIInChI=1S/C12H24N2O2/c1-9(13)8-12(15)14(2)10-4-6-11(16-3)7-5-10/h9-11H,4-8,13H2,1-3H3
InChIKeyLUYQDPCSEHXRQN-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide
CID 61447077
3-amino-N-[(4-methoxycyclohexyl)methyl]butanamide;hydrochloride
CID 119790794
4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide
CID 120591072
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide
CID 119746208
(2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide
CID 124741664
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride
CID 119746207
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 112622491
N-(4-aminocyclohexyl)-N,3,4,4-tetramethylpentanamide
CID 79121294
2-(1-aminopropan-2-ylsulfonyl)-N-cyclopropyl-N-methylacetamide
CID 81188098
4-(2-fluorophenyl)-N-(4-methoxycyclohexyl)-N,2-dimethyl-4-oxobutanamide
CID 71994688
4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 58394583
(3S)-3-(aminomethyl)-N-cyclobutyl-N,5-dimethylhexanamide
CID 104873493

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide?
The IUPAC name of 3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide (CID 119786339) is 3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide?
The canonical SMILES for 3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide is COC1CCC(N(C)C(=O)CC(C)N)CC1.
What is the InChIKey of 3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide?
The InChIKey is LUYQDPCSEHXRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(13)8-12(15)14(2)10-4-6-11(16-3)7-5-10/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide?
3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide is sourced from PubChem (CID 119786339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).