N-(2-aminocyclohexyl)-3-methylpentanamide

C12H24N2O — CID 114875574

IUPACN-(2-aminocyclohexyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC1CCCCC1N
InChIInChI=1S/C12H24N2O/c1-3-9(2)8-12(15)14-11-7-5-4-6-10(11)13/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyOYBBLETZUUIYHX-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.81
Rot. Bonds4

About N-(2-aminocyclohexyl)-3-methylpentanamide

N-(2-aminocyclohexyl)-3-methylpentanamide (PubChem CID 114875574) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-3-methylpentanamide
PubChem CID114875574
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(2-aminocyclohexyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NC1CCCCC1N
InChIInChI=1S/C12H24N2O/c1-3-9(2)8-12(15)14-11-7-5-4-6-10(11)13/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyOYBBLETZUUIYHX-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminocyclohexyl)propanamide
CID 61036997
N-[2-(chloromethyl)cyclopentyl]-3-methylpentanamide
CID 106366056
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727
N-(2-aminocyclohexyl)-2-(methylamino)acetamide
CID 130622235
N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
CID 93452012
N-[(1R,2R)-2-aminocyclohexyl]decanamide
CID 103805740
N-[(1R,2R)-2-aminocyclohexyl]nonanamide
CID 103805764
N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide
CID 103805745
4-[(2-aminocyclohexyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 61403433
3-(3-methylpentanoylamino)cyclohexane-1-carboxylic acid
CID 114873705
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide
CID 93451955
N-[(1R,2R)-2-aminocyclohexyl]but-3-enamide
CID 94547428

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-3-methylpentanamide?
The IUPAC name of N-(2-aminocyclohexyl)-3-methylpentanamide (CID 114875574) is N-(2-aminocyclohexyl)-3-methylpentanamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-3-methylpentanamide?
The canonical SMILES for N-(2-aminocyclohexyl)-3-methylpentanamide is CCC(C)CC(=O)NC1CCCCC1N.
What is the InChIKey of N-(2-aminocyclohexyl)-3-methylpentanamide?
The InChIKey is OYBBLETZUUIYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-9(2)8-12(15)14-11-7-5-4-6-10(11)13/h9-11H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-aminocyclohexyl)-3-methylpentanamide?
N-(2-aminocyclohexyl)-3-methylpentanamide has a molecular weight of 212.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-3-methylpentanamide is sourced from PubChem (CID 114875574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).