4-[methyl(propan-2-yl)amino]butanimidamide

C8H19N3 — CID 24710785

IUPAC4-[methyl(propan-2-yl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)C(C)C
InChIInChI=1S/C8H19N3/c1-7(2)11(3)6-4-5-8(9)10/h7H,4-6H2,1-3H3,(H3,9,10)
InChIKeyLYNJKZVGSSOGFH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.04
Rot. Bonds5

About 4-[methyl(propan-2-yl)amino]butanimidamide

4-[methyl(propan-2-yl)amino]butanimidamide (PubChem CID 24710785) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)amino]butanimidamide.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)amino]butanimidamide
PubChem CID24710785
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name4-[methyl(propan-2-yl)amino]butanimidamide
SMILES[H]/N=C(\N)CCCN(C)C(C)C
InChIInChI=1S/C8H19N3/c1-7(2)11(3)6-4-5-8(9)10/h7H,4-6H2,1-3H3,(H3,9,10)
InChIKeyLYNJKZVGSSOGFH-UHFFFAOYSA-N
XLogP1.04
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
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 4-[methyl(propan-2-yl)amino]butanimidamide?
The IUPAC name of 4-[methyl(propan-2-yl)amino]butanimidamide (CID 24710785) is 4-[methyl(propan-2-yl)amino]butanimidamide.
What is the SMILES notation for 4-[methyl(propan-2-yl)amino]butanimidamide?
The canonical SMILES for 4-[methyl(propan-2-yl)amino]butanimidamide is [H]/N=C(\N)CCCN(C)C(C)C.
What is the InChIKey of 4-[methyl(propan-2-yl)amino]butanimidamide?
The InChIKey is LYNJKZVGSSOGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-7(2)11(3)6-4-5-8(9)10/h7H,4-6H2,1-3H3,(H3,9,10).
What are the key properties of 4-[methyl(propan-2-yl)amino]butanimidamide?
4-[methyl(propan-2-yl)amino]butanimidamide has a molecular weight of 157.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)amino]butanimidamide is sourced from PubChem (CID 24710785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).