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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Related Compounds

methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
CID 63766942
N-[1-(aminomethyl)-3-methylcyclohexyl]-4-propan-2-ylbenzamide
CID 63756015
(2S,3S)-2-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylpentanamide
CID 62551339
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol
CID 83176449
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-methyloxolane-3-carboxamide
CID 114823503
1-[1-(aminomethyl)-3-methylcyclohexyl]-3-benzylurea
CID 107654538
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-ethylbutanamide
CID 114304013
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methylsulfonylpropanamide
CID 104522425
N-[1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 62526681
5-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methylpentanamide
CID 82012547
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine
CID 115406357
1-[(3-amino-2-methylpropanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 62668574

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).