3-N,3-N-dimethylpropanediimidamide

C5H12N4 — CID 58160656

IUPAC3-N,3-N-dimethylpropanediimidamide
SMILES[H]/N=C(\N)C/C(=N/[H])N(C)C
InChIInChI=1S/C5H12N4/c1-9(2)5(8)3-4(6)7/h8H,3H2,1-2H3,(H3,6,7)/b8-5-
InChIKeyNFSLVSYMZVSPMX-YVMONPNESA-N
MW128.18 g/mol
LogP-0.15
Rot. Bonds2

About 3-N,3-N-dimethylpropanediimidamide

3-N,3-N-dimethylpropanediimidamide (PubChem CID 58160656) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 3-N,3-N-dimethylpropanediimidamide.

Molecular Properties

Compound Name3-N,3-N-dimethylpropanediimidamide
PubChem CID58160656
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name3-N,3-N-dimethylpropanediimidamide
SMILES[H]/N=C(\N)C/C(=N/[H])N(C)C
InChIInChI=1S/C5H12N4/c1-9(2)5(8)3-4(6)7/h8H,3H2,1-2H3,(H3,6,7)/b8-5-
InChIKeyNFSLVSYMZVSPMX-YVMONPNESA-N
XLogP-0.15
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethylpropanediimidamide?
The IUPAC name of 3-N,3-N-dimethylpropanediimidamide (CID 58160656) is 3-N,3-N-dimethylpropanediimidamide.
What is the SMILES notation for 3-N,3-N-dimethylpropanediimidamide?
The canonical SMILES for 3-N,3-N-dimethylpropanediimidamide is [H]/N=C(\N)C/C(=N/[H])N(C)C.
What is the InChIKey of 3-N,3-N-dimethylpropanediimidamide?
The InChIKey is NFSLVSYMZVSPMX-YVMONPNESA-N. The full InChI is InChI=1S/C5H12N4/c1-9(2)5(8)3-4(6)7/h8H,3H2,1-2H3,(H3,6,7)/b8-5-.
What are the key properties of 3-N,3-N-dimethylpropanediimidamide?
3-N,3-N-dimethylpropanediimidamide has a molecular weight of 128.18 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethylpropanediimidamide is sourced from PubChem (CID 58160656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).