2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide

C13H24N2O — CID 114617178

IUPAC2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C13H24N2O/c1-11(2)10-15-12(16)9-13(14-3)7-5-4-6-8-13/h14H,1,4-10H2,2-3H3,(H,15,16)
InChIKeyDCDHAPDADJTAAA-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.99
Rot. Bonds5

About 2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide

2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide (PubChem CID 114617178) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide
PubChem CID114617178
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CNC(=O)CC1(NC)CCCCC1
InChIInChI=1S/C13H24N2O/c1-11(2)10-15-12(16)9-13(14-3)7-5-4-6-8-13/h14H,1,4-10H2,2-3H3,(H,15,16)
InChIKeyDCDHAPDADJTAAA-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.99
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

trans-N-allyl-2-aminocyclohexanecarboxamide
CID 129855648
Cyclohexanecarboxamide, N-methallyl-
CID 91695804
2-[1-(Ethylamino)cyclohexyl]acetamide
CID 10702651
1-amino-N-(prop-2-en-1-yl)cyclohexane-1-carboxamide
CID 24691482
1-amino-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
CID 24704505
3-amino-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
CID 63042675
2-(1-aminocyclohexyl)-N-(2,2-dimethylpropyl)acetamide
CID 64676774
2-(1-aminocyclohexyl)-N-(2-ethylhexyl)acetamide
CID 64676780
2-(1-aminocyclohexyl)-N-(2-aminoethyl)acetamide
CID 64676787
2-(1-aminocyclohexyl)-N-(3-aminopropyl)acetamide
CID 64676790
2-(1-aminocyclohexyl)-N-[4-(dimethylamino)butyl]acetamide
CID 64676826
N-(4-aminobutyl)-2-(1-aminocyclohexyl)acetamide
CID 64676989

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide (CID 114617178) is 2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide is C=C(C)CNC(=O)CC1(NC)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is DCDHAPDADJTAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)10-15-12(16)9-13(14-3)7-5-4-6-8-13/h14H,1,4-10H2,2-3H3,(H,15,16).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide?
2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 224.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 114617178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).