N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide

C12H22N2O — CID 166689267

IUPACN-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide
SMILESC=C(CN)CN(C(C)=O)C1CCCCC1
InChIInChI=1S/C12H22N2O/c1-10(8-13)9-14(11(2)15)12-6-4-3-5-7-12/h12H,1,3-9,13H2,2H3
InChIKeyMGFJWYXPCZZNNW-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.68
Rot. Bonds4

About N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide

N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide (PubChem CID 166689267) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide
PubChem CID166689267
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide
SMILESC=C(CN)CN(C(C)=O)C1CCCCC1
InChIInChI=1S/C12H22N2O/c1-10(8-13)9-14(11(2)15)12-6-4-3-5-7-12/h12H,1,3-9,13H2,2H3
InChIKeyMGFJWYXPCZZNNW-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide?
The IUPAC name of N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide (CID 166689267) is N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide.
What is the SMILES notation for N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide?
The canonical SMILES for N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide is C=C(CN)CN(C(C)=O)C1CCCCC1.
What is the InChIKey of N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide?
The InChIKey is MGFJWYXPCZZNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(8-13)9-14(11(2)15)12-6-4-3-5-7-12/h12H,1,3-9,13H2,2H3.
What are the key properties of N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide?
N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide has a molecular weight of 210.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)prop-2-enyl]-N-cyclohexylacetamide is sourced from PubChem (CID 166689267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).