3-(2-methylpropylamino)propanimidamide;dihydrochloride

C7H19Cl2N3 — CID 172716641

IUPAC3-(2-methylpropylamino)propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCNCC(C)C
InChIInChI=1S/C7H17N3.2ClH/c1-6(2)5-10-4-3-7(8)9;;/h6,10H,3-5H2,1-2H3,(H3,8,9);2*1H
InChIKeyFYHRULAOXRDYCB-UHFFFAOYSA-N
MW216.16 g/mol
LogP1.40
Rot. Bonds5

About 3-(2-methylpropylamino)propanimidamide;dihydrochloride

3-(2-methylpropylamino)propanimidamide;dihydrochloride (PubChem CID 172716641) has the molecular formula C7H19Cl2N3 and a molecular weight of 216.16 g/mol. Its IUPAC name is 3-(2-methylpropylamino)propanimidamide;dihydrochloride.

Molecular Properties

Compound Name3-(2-methylpropylamino)propanimidamide;dihydrochloride
PubChem CID172716641
Molecular FormulaC7H19Cl2N3
Molecular Weight216.16 g/mol
Exact Mass215.10
IUPAC Name3-(2-methylpropylamino)propanimidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)CCNCC(C)C
InChIInChI=1S/C7H17N3.2ClH/c1-6(2)5-10-4-3-7(8)9;;/h6,10H,3-5H2,1-2H3,(H3,8,9);2*1H
InChIKeyFYHRULAOXRDYCB-UHFFFAOYSA-N
XLogP1.40
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methylpropylamino)propanimidamide;dihydrochloride?
The IUPAC name of 3-(2-methylpropylamino)propanimidamide;dihydrochloride (CID 172716641) is 3-(2-methylpropylamino)propanimidamide;dihydrochloride.
What is the SMILES notation for 3-(2-methylpropylamino)propanimidamide;dihydrochloride?
The canonical SMILES for 3-(2-methylpropylamino)propanimidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)CCNCC(C)C.
What is the InChIKey of 3-(2-methylpropylamino)propanimidamide;dihydrochloride?
The InChIKey is FYHRULAOXRDYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3.2ClH/c1-6(2)5-10-4-3-7(8)9;;/h6,10H,3-5H2,1-2H3,(H3,8,9);2*1H.
What are the key properties of 3-(2-methylpropylamino)propanimidamide;dihydrochloride?
3-(2-methylpropylamino)propanimidamide;dihydrochloride has a molecular weight of 216.16 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)propanimidamide;dihydrochloride is sourced from PubChem (CID 172716641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).