N'-butyl-N-(2-methylprop-1-enyl)methanimidamide

C9H18N2 — CID 174264595

IUPACN'-butyl-N-(2-methylprop-1-enyl)methanimidamide
SMILESCCCC/N=C/NC=C(C)C
InChIInChI=1S/C9H18N2/c1-4-5-6-10-8-11-7-9(2)3/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyRUSRNBKWSOERHW-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.33
Rot. Bonds5

About N'-butyl-N-(2-methylprop-1-enyl)methanimidamide

N'-butyl-N-(2-methylprop-1-enyl)methanimidamide (PubChem CID 174264595) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-butyl-N-(2-methylprop-1-enyl)methanimidamide.

Molecular Properties

Compound NameN'-butyl-N-(2-methylprop-1-enyl)methanimidamide
PubChem CID174264595
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-butyl-N-(2-methylprop-1-enyl)methanimidamide
SMILESCCCC/N=C/NC=C(C)C
InChIInChI=1S/C9H18N2/c1-4-5-6-10-8-11-7-9(2)3/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyRUSRNBKWSOERHW-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.33
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'-butyl-N-(2-methylprop-1-enyl)methanimidamide?
The IUPAC name of N'-butyl-N-(2-methylprop-1-enyl)methanimidamide (CID 174264595) is N'-butyl-N-(2-methylprop-1-enyl)methanimidamide.
What is the SMILES notation for N'-butyl-N-(2-methylprop-1-enyl)methanimidamide?
The canonical SMILES for N'-butyl-N-(2-methylprop-1-enyl)methanimidamide is CCCC/N=C/NC=C(C)C.
What is the InChIKey of N'-butyl-N-(2-methylprop-1-enyl)methanimidamide?
The InChIKey is RUSRNBKWSOERHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-10-8-11-7-9(2)3/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N'-butyl-N-(2-methylprop-1-enyl)methanimidamide?
N'-butyl-N-(2-methylprop-1-enyl)methanimidamide has a molecular weight of 154.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(2-methylprop-1-enyl)methanimidamide is sourced from PubChem (CID 174264595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).