3-propan-2-yloxypropanimidamide;hydrochloride

C6H15ClN2O — CID 71757002

IUPAC3-propan-2-yloxypropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCOC(C)C
InChIInChI=1S/C6H14N2O.ClH/c1-5(2)9-4-3-6(7)8;/h5H,3-4H2,1-2H3,(H3,7,8);1H
InChIKeyKVKKBYINSYCZQP-UHFFFAOYSA-N
MW166.65 g/mol
LogP1.16
Rot. Bonds4

About 3-propan-2-yloxypropanimidamide;hydrochloride

3-propan-2-yloxypropanimidamide;hydrochloride (PubChem CID 71757002) has the molecular formula C6H15ClN2O and a molecular weight of 166.65 g/mol. Its IUPAC name is 3-propan-2-yloxypropanimidamide;hydrochloride.

Molecular Properties

Compound Name3-propan-2-yloxypropanimidamide;hydrochloride
PubChem CID71757002
Molecular FormulaC6H15ClN2O
Molecular Weight166.65 g/mol
Exact Mass166.09
IUPAC Name3-propan-2-yloxypropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCOC(C)C
InChIInChI=1S/C6H14N2O.ClH/c1-5(2)9-4-3-6(7)8;/h5H,3-4H2,1-2H3,(H3,7,8);1H
InChIKeyKVKKBYINSYCZQP-UHFFFAOYSA-N
XLogP1.16
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 51.16
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-propan-2-yloxypropanimidamide;hydrochloride?
The IUPAC name of 3-propan-2-yloxypropanimidamide;hydrochloride (CID 71757002) is 3-propan-2-yloxypropanimidamide;hydrochloride.
What is the SMILES notation for 3-propan-2-yloxypropanimidamide;hydrochloride?
The canonical SMILES for 3-propan-2-yloxypropanimidamide;hydrochloride is Cl.[H]/N=C(\N)CCOC(C)C.
What is the InChIKey of 3-propan-2-yloxypropanimidamide;hydrochloride?
The InChIKey is KVKKBYINSYCZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.ClH/c1-5(2)9-4-3-6(7)8;/h5H,3-4H2,1-2H3,(H3,7,8);1H.
What are the key properties of 3-propan-2-yloxypropanimidamide;hydrochloride?
3-propan-2-yloxypropanimidamide;hydrochloride has a molecular weight of 166.65 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxypropanimidamide;hydrochloride is sourced from PubChem (CID 71757002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).