heptan-4-amine;prop-2-enamide

C10H22N2O — CID 88828159

IUPACheptan-4-amine;prop-2-enamide
SMILESC=CC(N)=O.CCCC(N)CCC
InChIInChI=1S/C7H17N.C3H5NO/c1-3-5-7(8)6-4-2;1-2-3(4)5/h7H,3-6,8H2,1-2H3;2H,1H2,(H2,4,5)
InChIKeyCYAXCAGCRDADOL-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.57
Rot. Bonds5

About heptan-4-amine;prop-2-enamide

heptan-4-amine;prop-2-enamide (PubChem CID 88828159) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is heptan-4-amine;prop-2-enamide.

Molecular Properties

Compound Nameheptan-4-amine;prop-2-enamide
PubChem CID88828159
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Nameheptan-4-amine;prop-2-enamide
SMILESC=CC(N)=O.CCCC(N)CCC
InChIInChI=1S/C7H17N.C3H5NO/c1-3-5-7(8)6-4-2;1-2-3(4)5/h7H,3-6,8H2,1-2H3;2H,1H2,(H2,4,5)
InChIKeyCYAXCAGCRDADOL-UHFFFAOYSA-N
XLogP1.57
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of heptan-4-amine;prop-2-enamide?
The IUPAC name of heptan-4-amine;prop-2-enamide (CID 88828159) is heptan-4-amine;prop-2-enamide.
What is the SMILES notation for heptan-4-amine;prop-2-enamide?
The canonical SMILES for heptan-4-amine;prop-2-enamide is C=CC(N)=O.CCCC(N)CCC.
What is the InChIKey of heptan-4-amine;prop-2-enamide?
The InChIKey is CYAXCAGCRDADOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C3H5NO/c1-3-5-7(8)6-4-2;1-2-3(4)5/h7H,3-6,8H2,1-2H3;2H,1H2,(H2,4,5).
What are the key properties of heptan-4-amine;prop-2-enamide?
heptan-4-amine;prop-2-enamide has a molecular weight of 186.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-4-amine;prop-2-enamide is sourced from PubChem (CID 88828159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).