2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide

C15H28N2O — CID 103277041

IUPAC2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCC1=CC(C)CC(CNCC(=O)NCC(C)C)C1
InChIInChI=1S/C15H28N2O/c1-11(2)8-17-15(18)10-16-9-14-6-12(3)5-13(4)7-14/h5,11-12,14,16H,6-10H2,1-4H3,(H,17,18)
InChIKeyMTFDZQOYHCSEBD-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.34
Rot. Bonds6

About 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide

2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide (PubChem CID 103277041) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide
PubChem CID103277041
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide
SMILESCC1=CC(C)CC(CNCC(=O)NCC(C)C)C1
InChIInChI=1S/C15H28N2O/c1-11(2)8-17-15(18)10-16-9-14-6-12(3)5-13(4)7-14/h5,11-12,14,16H,6-10H2,1-4H3,(H,17,18)
InChIKeyMTFDZQOYHCSEBD-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
CID 103276172
ethyl 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetate
CID 103276524
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 103277023
2-bromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]prop-2-en-1-amine
CID 103277074
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]ethanesulfonamide
CID 103276204
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 103277136
1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-ethylpentan-2-ol
CID 114168296
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 103276638
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)acetamide
CID 106133696
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol
CID 103276887
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 103276706

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide (CID 103277041) is 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide is CC1=CC(C)CC(CNCC(=O)NCC(C)C)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is MTFDZQOYHCSEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(2)8-17-15(18)10-16-9-14-6-12(3)5-13(4)7-14/h5,11-12,14,16H,6-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide?
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 252.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 103277041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).