3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide

C12H24N2O — CID 107413266

IUPAC3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide
SMILESCC1CCC(CNC(=O)CC(C)(C)N)C1
InChIInChI=1S/C12H24N2O/c1-9-4-5-10(6-9)8-14-11(15)7-12(2,3)13/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyGDTCNZTYPNYHDK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.67
Rot. Bonds4

About 3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide

3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide (PubChem CID 107413266) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide
PubChem CID107413266
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide
SMILESCC1CCC(CNC(=O)CC(C)(C)N)C1
InChIInChI=1S/C12H24N2O/c1-9-4-5-10(6-9)8-14-11(15)7-12(2,3)13/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyGDTCNZTYPNYHDK-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413148
4-[[(3-amino-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524780
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107412345
(3-methylcyclopentyl)methylurea
CID 20542807
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107415477
N-[(3-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 103279887
2-(2-amino-2-methylpropoxy)-N-(cyclopropylmethyl)acetamide
CID 64538004
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107414834
N-(2-aminoethyl)-N'-[(3-methylcyclopentyl)methyl]oxamide
CID 107411052
4-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methylpentanamide
CID 106134360

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide (CID 107413266) is 3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide is CC1CCC(CNC(=O)CC(C)(C)N)C1.
What is the InChIKey of 3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide?
The InChIKey is GDTCNZTYPNYHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-4-5-10(6-9)8-14-11(15)7-12(2,3)13/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide?
3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide is sourced from PubChem (CID 107413266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).