2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide

C12H24N2O — CID 65227597

IUPAC2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide
SMILESC=CCN(C(=O)C(CN)CCC)C(C)C
InChIInChI=1S/C12H24N2O/c1-5-7-11(9-13)12(15)14(8-6-2)10(3)4/h6,10-11H,2,5,7-9,13H2,1,3-4H3
InChIKeyNPRTUKCPCMNRAM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds7

About 2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide

2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide (PubChem CID 65227597) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide
PubChem CID65227597
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide
SMILESC=CCN(C(=O)C(CN)CCC)C(C)C
InChIInChI=1S/C12H24N2O/c1-5-7-11(9-13)12(15)14(8-6-2)10(3)4/h6,10-11H,2,5,7-9,13H2,1,3-4H3
InChIKeyNPRTUKCPCMNRAM-UHFFFAOYSA-N
XLogP1.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
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 2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide (CID 65227597) is 2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide is C=CCN(C(=O)C(CN)CCC)C(C)C.
What is the InChIKey of 2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide?
The InChIKey is NPRTUKCPCMNRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-7-11(9-13)12(15)14(8-6-2)10(3)4/h6,10-11H,2,5,7-9,13H2,1,3-4H3.
What are the key properties of 2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide?
2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide has a molecular weight of 212.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-propan-2-yl-N-prop-2-enylpentanamide is sourced from PubChem (CID 65227597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).