decan-1-amine;prop-2-enamide

C13H28N2O — CID 162009588

IUPACdecan-1-amine;prop-2-enamide
SMILESC=CC(N)=O.CCCCCCCCCCN
InChIInChI=1S/C10H23N.C3H5NO/c1-2-3-4-5-6-7-8-9-10-11;1-2-3(4)5/h2-11H2,1H3;2H,1H2,(H2,4,5)
InChIKeyYTHFXMJXNPUYJF-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.74
Rot. Bonds9

About decan-1-amine;prop-2-enamide

decan-1-amine;prop-2-enamide (PubChem CID 162009588) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is decan-1-amine;prop-2-enamide.

Molecular Properties

Compound Namedecan-1-amine;prop-2-enamide
PubChem CID162009588
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Namedecan-1-amine;prop-2-enamide
SMILESC=CC(N)=O.CCCCCCCCCCN
InChIInChI=1S/C10H23N.C3H5NO/c1-2-3-4-5-6-7-8-9-10-11;1-2-3(4)5/h2-11H2,1H3;2H,1H2,(H2,4,5)
InChIKeyYTHFXMJXNPUYJF-UHFFFAOYSA-N
XLogP2.74
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

dodecan-1-amine;prop-2-enoic acid
CID 87328751
octadecan-1-amine;prop-2-enoic acid
CID 10427444
pentane;prop-2-enamide
CID 139391622
carbamic acid;hexan-1-amine
CID 158177123
acetamide;decan-1-amine
CID 160911015
hexadecan-1-amine;propan-2-one
CID 175396285
acetic acid;hexan-1-amine
CID 174564294
formic acid;heptan-1-amine
CID 144828464
dihydroxy(oxo)silane;bis(octadecan-1-amine)
CID 173216664
acetic acid;hexacosan-1-amine
CID 172814522
decan-1-amine;formic acid
CID 157494086
dodecan-1-amine;guanidine
CID 172680887

Frequently Asked Questions

What is the IUPAC name of decan-1-amine;prop-2-enamide?
The IUPAC name of decan-1-amine;prop-2-enamide (CID 162009588) is decan-1-amine;prop-2-enamide.
What is the SMILES notation for decan-1-amine;prop-2-enamide?
The canonical SMILES for decan-1-amine;prop-2-enamide is C=CC(N)=O.CCCCCCCCCCN.
What is the InChIKey of decan-1-amine;prop-2-enamide?
The InChIKey is YTHFXMJXNPUYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C3H5NO/c1-2-3-4-5-6-7-8-9-10-11;1-2-3(4)5/h2-11H2,1H3;2H,1H2,(H2,4,5).
What are the key properties of decan-1-amine;prop-2-enamide?
decan-1-amine;prop-2-enamide has a molecular weight of 228.38 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-amine;prop-2-enamide is sourced from PubChem (CID 162009588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).