ethane;2-propylpyrrolidine-1-carboximidamide

C10H23N3 — CID 145315549

IUPACethane;2-propylpyrrolidine-1-carboximidamide
SMILESCC.[H]/N=C(\N)N1CCCC1CCC
InChIInChI=1S/C8H17N3.C2H6/c1-2-4-7-5-3-6-11(7)8(9)10;1-2/h7H,2-6H2,1H3,(H3,9,10);1-2H3
InChIKeyBRZCXFCGSDOEGS-UHFFFAOYSA-N
MW185.32 g/mol
LogP2.17
Rot. Bonds2

About ethane;2-propylpyrrolidine-1-carboximidamide

ethane;2-propylpyrrolidine-1-carboximidamide (PubChem CID 145315549) has the molecular formula C10H23N3 and a molecular weight of 185.32 g/mol. Its IUPAC name is ethane;2-propylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Nameethane;2-propylpyrrolidine-1-carboximidamide
PubChem CID145315549
Molecular FormulaC10H23N3
Molecular Weight185.32 g/mol
Exact Mass185.19
IUPAC Nameethane;2-propylpyrrolidine-1-carboximidamide
SMILESCC.[H]/N=C(\N)N1CCCC1CCC
InChIInChI=1S/C8H17N3.C2H6/c1-2-4-7-5-3-6-11(7)8(9)10;1-2/h7H,2-6H2,1H3,(H3,9,10);1-2H3
InChIKeyBRZCXFCGSDOEGS-UHFFFAOYSA-N
XLogP2.17
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 ethane;2-propylpyrrolidine-1-carboximidamide?
The IUPAC name of ethane;2-propylpyrrolidine-1-carboximidamide (CID 145315549) is ethane;2-propylpyrrolidine-1-carboximidamide.
What is the SMILES notation for ethane;2-propylpyrrolidine-1-carboximidamide?
The canonical SMILES for ethane;2-propylpyrrolidine-1-carboximidamide is CC.[H]/N=C(\N)N1CCCC1CCC.
What is the InChIKey of ethane;2-propylpyrrolidine-1-carboximidamide?
The InChIKey is BRZCXFCGSDOEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.C2H6/c1-2-4-7-5-3-6-11(7)8(9)10;1-2/h7H,2-6H2,1H3,(H3,9,10);1-2H3.
What are the key properties of ethane;2-propylpyrrolidine-1-carboximidamide?
ethane;2-propylpyrrolidine-1-carboximidamide has a molecular weight of 185.32 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 145315549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).