N,N,N'-tributylmethanimidamide

C13H28N2 — CID 13042433

IUPACN,N,N'-tributylmethanimidamide
SMILESCCCC/N=C/N(CCCC)CCCC
InChIInChI=1S/C13H28N2/c1-4-7-10-14-13-15(11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3/b14-13+
InChIKeyJVZLBLOBXCWMHG-BUHFOSPRSA-N
MW212.38 g/mol
LogP3.72
Rot. Bonds10

About N,N,N'-tributylmethanimidamide

N,N,N'-tributylmethanimidamide (PubChem CID 13042433) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N,N'-tributylmethanimidamide.

Molecular Properties

Compound NameN,N,N'-tributylmethanimidamide
PubChem CID13042433
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N,N'-tributylmethanimidamide
SMILESCCCC/N=C/N(CCCC)CCCC
InChIInChI=1S/C13H28N2/c1-4-7-10-14-13-15(11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3/b14-13+
InChIKeyJVZLBLOBXCWMHG-BUHFOSPRSA-N
XLogP3.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
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,N,N'-tributylmethanimidamide?
The IUPAC name of N,N,N'-tributylmethanimidamide (CID 13042433) is N,N,N'-tributylmethanimidamide.
What is the SMILES notation for N,N,N'-tributylmethanimidamide?
The canonical SMILES for N,N,N'-tributylmethanimidamide is CCCC/N=C/N(CCCC)CCCC.
What is the InChIKey of N,N,N'-tributylmethanimidamide?
The InChIKey is JVZLBLOBXCWMHG-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-7-10-14-13-15(11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3/b14-13+.
What are the key properties of N,N,N'-tributylmethanimidamide?
N,N,N'-tributylmethanimidamide has a molecular weight of 212.38 g/mol, XLogP of 3.72, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-tributylmethanimidamide is sourced from PubChem (CID 13042433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).