N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide

C12H24N2O2 — CID 106135488

IUPACN-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C12H24N2O2/c1-9(7-13-2)12(16)14-8-10-3-5-11(15)6-4-10/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyWJQKMUANZXVMEV-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.51
Rot. Bonds5

About N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide

N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 106135488) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID106135488
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C12H24N2O2/c1-9(7-13-2)12(16)14-8-10-3-5-11(15)6-4-10/h9-11,13,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyWJQKMUANZXVMEV-UHFFFAOYSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
N-(cyclobutylmethyl)-2-methyl-3-(methylamino)propanamide
CID 79196076
N-[(4-tert-butylcyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119808651
2-methyl-3-(methylamino)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413053
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
CID 106121936
2-methyl-3-(methylamino)-N-(oxolan-3-ylmethyl)propanamide;hydrochloride
CID 119716813
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856
N-[(4-chlorocyclohexyl)methyl]-2-methylbutanamide
CID 106133616
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
CID 106135774
N-(cyclohexylmethyl)-3-methyl-2-(methylaminomethyl)butanamide
CID 115187727
ethyl 2-amino-3-[(4-hydroxycyclohexyl)methylamino]-3-oxopropanoate
CID 106135415

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide (CID 106135488) is N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCC1CCC(O)CC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is WJQKMUANZXVMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(7-13-2)12(16)14-8-10-3-5-11(15)6-4-10/h9-11,13,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide?
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 106135488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).