1-[2-(methylamino)propanoyl]diazinane-3-carboxamide

C9H18N4O2 — CID 134235312

IUPAC1-[2-(methylamino)propanoyl]diazinane-3-carboxamide
SMILESCNC(C)C(=O)N1CCCC(C(N)=O)N1
InChIInChI=1S/C9H18N4O2/c1-6(11-2)9(15)13-5-3-4-7(12-13)8(10)14/h6-7,11-12H,3-5H2,1-2H3,(H2,10,14)
InChIKeySLBXUZQRPPQQSI-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.42
Rot. Bonds3

About 1-[2-(methylamino)propanoyl]diazinane-3-carboxamide

1-[2-(methylamino)propanoyl]diazinane-3-carboxamide (PubChem CID 134235312) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-[2-(methylamino)propanoyl]diazinane-3-carboxamide.

Molecular Properties

Compound Name1-[2-(methylamino)propanoyl]diazinane-3-carboxamide
PubChem CID134235312
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name1-[2-(methylamino)propanoyl]diazinane-3-carboxamide
SMILESCNC(C)C(=O)N1CCCC(C(N)=O)N1
InChIInChI=1S/C9H18N4O2/c1-6(11-2)9(15)13-5-3-4-7(12-13)8(10)14/h6-7,11-12H,3-5H2,1-2H3,(H2,10,14)
InChIKeySLBXUZQRPPQQSI-UHFFFAOYSA-N
XLogP-1.42
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)propanoyl]diazinane-3-carboxamide?
The IUPAC name of 1-[2-(methylamino)propanoyl]diazinane-3-carboxamide (CID 134235312) is 1-[2-(methylamino)propanoyl]diazinane-3-carboxamide.
What is the SMILES notation for 1-[2-(methylamino)propanoyl]diazinane-3-carboxamide?
The canonical SMILES for 1-[2-(methylamino)propanoyl]diazinane-3-carboxamide is CNC(C)C(=O)N1CCCC(C(N)=O)N1.
What is the InChIKey of 1-[2-(methylamino)propanoyl]diazinane-3-carboxamide?
The InChIKey is SLBXUZQRPPQQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-6(11-2)9(15)13-5-3-4-7(12-13)8(10)14/h6-7,11-12H,3-5H2,1-2H3,(H2,10,14).
What are the key properties of 1-[2-(methylamino)propanoyl]diazinane-3-carboxamide?
1-[2-(methylamino)propanoyl]diazinane-3-carboxamide has a molecular weight of 214.27 g/mol, XLogP of -1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)propanoyl]diazinane-3-carboxamide is sourced from PubChem (CID 134235312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).