N'-butyl-4-methylpentanimidamide

C10H22N2 — CID 166731562

IUPACN'-butyl-4-methylpentanimidamide
SMILESCCCC/N=C(/N)CCC(C)C
InChIInChI=1S/C10H22N2/c1-4-5-8-12-10(11)7-6-9(2)3/h9H,4-8H2,1-3H3,(H2,11,12)
InChIKeyNXVOCYTUWOFZFU-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.58
Rot. Bonds6

About N'-butyl-4-methylpentanimidamide

N'-butyl-4-methylpentanimidamide (PubChem CID 166731562) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-butyl-4-methylpentanimidamide.

Molecular Properties

Compound NameN'-butyl-4-methylpentanimidamide
PubChem CID166731562
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-butyl-4-methylpentanimidamide
SMILESCCCC/N=C(/N)CCC(C)C
InChIInChI=1S/C10H22N2/c1-4-5-8-12-10(11)7-6-9(2)3/h9H,4-8H2,1-3H3,(H2,11,12)
InChIKeyNXVOCYTUWOFZFU-UHFFFAOYSA-N
XLogP2.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.58
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'}

Analyze N'-butyl-4-methylpentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-butyl-4-methylpentanimidamide?
The IUPAC name of N'-butyl-4-methylpentanimidamide (CID 166731562) is N'-butyl-4-methylpentanimidamide.
What is the SMILES notation for N'-butyl-4-methylpentanimidamide?
The canonical SMILES for N'-butyl-4-methylpentanimidamide is CCCC/N=C(/N)CCC(C)C.
What is the InChIKey of N'-butyl-4-methylpentanimidamide?
The InChIKey is NXVOCYTUWOFZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-5-8-12-10(11)7-6-9(2)3/h9H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of N'-butyl-4-methylpentanimidamide?
N'-butyl-4-methylpentanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-4-methylpentanimidamide is sourced from PubChem (CID 166731562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).