N'-(4-methylpentyl)propanimidamide

C9H20N2 — CID 63181200

IUPACN'-(4-methylpentyl)propanimidamide
SMILESCC/C(N)=N\CCCC(C)C
InChIInChI=1S/C9H20N2/c1-4-9(10)11-7-5-6-8(2)3/h8H,4-7H2,1-3H3,(H2,10,11)
InChIKeyGNXUXUSNPUEFMV-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.19
Rot. Bonds5

About N'-(4-methylpentyl)propanimidamide

N'-(4-methylpentyl)propanimidamide (PubChem CID 63181200) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-(4-methylpentyl)propanimidamide.

Molecular Properties

Compound NameN'-(4-methylpentyl)propanimidamide
PubChem CID63181200
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-(4-methylpentyl)propanimidamide
SMILESCC/C(N)=N\CCCC(C)C
InChIInChI=1S/C9H20N2/c1-4-9(10)11-7-5-6-8(2)3/h8H,4-7H2,1-3H3,(H2,10,11)
InChIKeyGNXUXUSNPUEFMV-UHFFFAOYSA-N
XLogP2.19
TPSA38.38 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N'-(4-methylpentyl)propanimidamide?
The IUPAC name of N'-(4-methylpentyl)propanimidamide (CID 63181200) is N'-(4-methylpentyl)propanimidamide.
What is the SMILES notation for N'-(4-methylpentyl)propanimidamide?
The canonical SMILES for N'-(4-methylpentyl)propanimidamide is CC/C(N)=N\CCCC(C)C.
What is the InChIKey of N'-(4-methylpentyl)propanimidamide?
The InChIKey is GNXUXUSNPUEFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-9(10)11-7-5-6-8(2)3/h8H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of N'-(4-methylpentyl)propanimidamide?
N'-(4-methylpentyl)propanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpentyl)propanimidamide is sourced from PubChem (CID 63181200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).