N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide

C12H20N2O2 — CID 22610646

IUPACN-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCCCCCN)C(=O)C=C
InChIInChI=1S/C12H20N2O2/c1-3-11(15)14(12(16)4-2)10-8-6-5-7-9-13/h3-4H,1-2,5-10,13H2
InChIKeyBOMZLGWYAKKMPG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.23
Rot. Bonds8

About N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide

N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide (PubChem CID 22610646) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide
PubChem CID22610646
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide
SMILESC=CC(=O)N(CCCCCCN)C(=O)C=C
InChIInChI=1S/C12H20N2O2/c1-3-11(15)14(12(16)4-2)10-8-6-5-7-9-13/h3-4H,1-2,5-10,13H2
InChIKeyBOMZLGWYAKKMPG-UHFFFAOYSA-N
XLogP1.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide?
The IUPAC name of N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide (CID 22610646) is N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide.
What is the SMILES notation for N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide?
The canonical SMILES for N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide is C=CC(=O)N(CCCCCCN)C(=O)C=C.
What is the InChIKey of N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide?
The InChIKey is BOMZLGWYAKKMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-11(15)14(12(16)4-2)10-8-6-5-7-9-13/h3-4H,1-2,5-10,13H2.
What are the key properties of N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide?
N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide has a molecular weight of 224.30 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-N-prop-2-enoylprop-2-enamide is sourced from PubChem (CID 22610646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).