3-[di(propan-2-yl)amino]propanimidamide

C9H21N3 — CID 28811979

IUPAC3-[di(propan-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C(C)C)C(C)C
InChIInChI=1S/C9H21N3/c1-7(2)12(8(3)4)6-5-9(10)11/h7-8H,5-6H2,1-4H3,(H3,10,11)
InChIKeyOGHLROLKSARUSK-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.43
Rot. Bonds5

About 3-[di(propan-2-yl)amino]propanimidamide

3-[di(propan-2-yl)amino]propanimidamide (PubChem CID 28811979) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]propanimidamide
PubChem CID28811979
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name3-[di(propan-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C(C)C)C(C)C
InChIInChI=1S/C9H21N3/c1-7(2)12(8(3)4)6-5-9(10)11/h7-8H,5-6H2,1-4H3,(H3,10,11)
InChIKeyOGHLROLKSARUSK-UHFFFAOYSA-N
XLogP1.43
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.43
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 3-[di(propan-2-yl)amino]propanimidamide?
The IUPAC name of 3-[di(propan-2-yl)amino]propanimidamide (CID 28811979) is 3-[di(propan-2-yl)amino]propanimidamide.
What is the SMILES notation for 3-[di(propan-2-yl)amino]propanimidamide?
The canonical SMILES for 3-[di(propan-2-yl)amino]propanimidamide is [H]/N=C(\N)CCN(C(C)C)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)amino]propanimidamide?
The InChIKey is OGHLROLKSARUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-7(2)12(8(3)4)6-5-9(10)11/h7-8H,5-6H2,1-4H3,(H3,10,11).
What are the key properties of 3-[di(propan-2-yl)amino]propanimidamide?
3-[di(propan-2-yl)amino]propanimidamide has a molecular weight of 171.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]propanimidamide is sourced from PubChem (CID 28811979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).