N'-tert-butylazocane-1-carboximidamide

C12H25N3 — CID 62361042

IUPACN'-tert-butylazocane-1-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCCCCCC1
InChIInChI=1S/C12H25N3/c1-12(2,3)14-11(13)15-9-7-5-4-6-8-10-15/h4-10H2,1-3H3,(H2,13,14)
InChIKeyYLGPWVFFOSOBEH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.37
Rot. Bonds

About N'-tert-butylazocane-1-carboximidamide

N'-tert-butylazocane-1-carboximidamide (PubChem CID 62361042) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-tert-butylazocane-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butylazocane-1-carboximidamide
PubChem CID62361042
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-tert-butylazocane-1-carboximidamide
SMILESCC(C)(C)/N=C(\N)N1CCCCCCC1
InChIInChI=1S/C12H25N3/c1-12(2,3)14-11(13)15-9-7-5-4-6-8-10-15/h4-10H2,1-3H3,(H2,13,14)
InChIKeyYLGPWVFFOSOBEH-UHFFFAOYSA-N
XLogP2.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.37
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'-tert-butylazocane-1-carboximidamide?
The IUPAC name of N'-tert-butylazocane-1-carboximidamide (CID 62361042) is N'-tert-butylazocane-1-carboximidamide.
What is the SMILES notation for N'-tert-butylazocane-1-carboximidamide?
The canonical SMILES for N'-tert-butylazocane-1-carboximidamide is CC(C)(C)/N=C(\N)N1CCCCCCC1.
What is the InChIKey of N'-tert-butylazocane-1-carboximidamide?
The InChIKey is YLGPWVFFOSOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-12(2,3)14-11(13)15-9-7-5-4-6-8-10-15/h4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-tert-butylazocane-1-carboximidamide?
N'-tert-butylazocane-1-carboximidamide has a molecular weight of 211.35 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butylazocane-1-carboximidamide is sourced from PubChem (CID 62361042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).