azane;hexan-1-amine;bis(prop-2-enamide)

C12H28N4O2 — CID 21480881

IUPACazane;hexan-1-amine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.CCCCCCN.N
InChIInChI=1S/C6H15N.2C3H5NO.H3N/c1-2-3-4-5-6-7;2*1-2-3(4)5;/h2-7H2,1H3;2*2H,1H2,(H2,4,5);1H3
InChIKeyCJIRXJCGAYVWAZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.00
Rot. Bonds6

About azane;hexan-1-amine;bis(prop-2-enamide)

azane;hexan-1-amine;bis(prop-2-enamide) (PubChem CID 21480881) has the molecular formula C12H28N4O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is azane;hexan-1-amine;bis(prop-2-enamide).

Molecular Properties

Compound Nameazane;hexan-1-amine;bis(prop-2-enamide)
PubChem CID21480881
Molecular FormulaC12H28N4O2
Molecular Weight260.38 g/mol
Exact Mass260.22
IUPAC Nameazane;hexan-1-amine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.CCCCCCN.N
InChIInChI=1S/C6H15N.2C3H5NO.H3N/c1-2-3-4-5-6-7;2*1-2-3(4)5;/h2-7H2,1H3;2*2H,1H2,(H2,4,5);1H3
InChIKeyCJIRXJCGAYVWAZ-UHFFFAOYSA-N
XLogP1.00
TPSA147.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 azane;hexan-1-amine;bis(prop-2-enamide)?
The IUPAC name of azane;hexan-1-amine;bis(prop-2-enamide) (CID 21480881) is azane;hexan-1-amine;bis(prop-2-enamide).
What is the SMILES notation for azane;hexan-1-amine;bis(prop-2-enamide)?
The canonical SMILES for azane;hexan-1-amine;bis(prop-2-enamide) is C=CC(N)=O.C=CC(N)=O.CCCCCCN.N.
What is the InChIKey of azane;hexan-1-amine;bis(prop-2-enamide)?
The InChIKey is CJIRXJCGAYVWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.2C3H5NO.H3N/c1-2-3-4-5-6-7;2*1-2-3(4)5;/h2-7H2,1H3;2*2H,1H2,(H2,4,5);1H3.
What are the key properties of azane;hexan-1-amine;bis(prop-2-enamide)?
azane;hexan-1-amine;bis(prop-2-enamide) has a molecular weight of 260.38 g/mol, XLogP of 1.00, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexan-1-amine;bis(prop-2-enamide) is sourced from PubChem (CID 21480881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).