N,N-dipropylpropanimidamide

C9H20N2 — CID 62047942

IUPACN,N-dipropylpropanimidamide
SMILES[H]/N=C(\CC)N(CCC)CCC
InChIInChI=1S/C9H20N2/c1-4-7-11(8-5-2)9(10)6-3/h10H,4-8H2,1-3H3/b10-9+
InChIKeyQGXGUIYCSOPPGP-MDZDMXLPSA-N
MW156.27 g/mol
LogP2.50
Rot. Bonds5

About N,N-dipropylpropanimidamide

N,N-dipropylpropanimidamide (PubChem CID 62047942) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N,N-dipropylpropanimidamide.

Molecular Properties

Compound NameN,N-dipropylpropanimidamide
PubChem CID62047942
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN,N-dipropylpropanimidamide
SMILES[H]/N=C(\CC)N(CCC)CCC
InChIInChI=1S/C9H20N2/c1-4-7-11(8-5-2)9(10)6-3/h10H,4-8H2,1-3H3/b10-9+
InChIKeyQGXGUIYCSOPPGP-MDZDMXLPSA-N
XLogP2.50
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
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 N,N-dipropylpropanimidamide?
The IUPAC name of N,N-dipropylpropanimidamide (CID 62047942) is N,N-dipropylpropanimidamide.
What is the SMILES notation for N,N-dipropylpropanimidamide?
The canonical SMILES for N,N-dipropylpropanimidamide is [H]/N=C(\CC)N(CCC)CCC.
What is the InChIKey of N,N-dipropylpropanimidamide?
The InChIKey is QGXGUIYCSOPPGP-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-7-11(8-5-2)9(10)6-3/h10H,4-8H2,1-3H3/b10-9+.
What are the key properties of N,N-dipropylpropanimidamide?
N,N-dipropylpropanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylpropanimidamide is sourced from PubChem (CID 62047942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).