N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide

C12H24N2O — CID 63753681

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
SMILESCC1CCCC(CN)(NC(=O)C(C)C)C1
InChIInChI=1S/C12H24N2O/c1-9(2)11(15)14-12(8-13)6-4-5-10(3)7-12/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeySDBINBQVHQIDMO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.67
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide

N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide (PubChem CID 63753681) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
PubChem CID63753681
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
SMILESCC1CCCC(CN)(NC(=O)C(C)C)C1
InChIInChI=1S/C12H24N2O/c1-9(2)11(15)14-12(8-13)6-4-5-10(3)7-12/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeySDBINBQVHQIDMO-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide (CID 63753681) is N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide is CC1CCCC(CN)(NC(=O)C(C)C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide?
The InChIKey is SDBINBQVHQIDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)11(15)14-12(8-13)6-4-5-10(3)7-12/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide?
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide has a molecular weight of 212.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide is sourced from PubChem (CID 63753681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).