N-(N'-tert-butylcarbamimidoyl)formamide

C6H13N3O — CID 58320078

IUPACN-(N'-tert-butylcarbamimidoyl)formamide
SMILESCC(C)(C)/N=C(\N)NC=O
InChIInChI=1S/C6H13N3O/c1-6(2,3)9-5(7)8-4-10/h4H,1-3H3,(H3,7,8,9,10)
InChIKeySZCOYAISDJPACR-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.15
Rot. Bonds1

About N-(N'-tert-butylcarbamimidoyl)formamide

N-(N'-tert-butylcarbamimidoyl)formamide (PubChem CID 58320078) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(N'-tert-butylcarbamimidoyl)formamide.

Molecular Properties

Compound NameN-(N'-tert-butylcarbamimidoyl)formamide
PubChem CID58320078
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameN-(N'-tert-butylcarbamimidoyl)formamide
SMILESCC(C)(C)/N=C(\N)NC=O
InChIInChI=1S/C6H13N3O/c1-6(2,3)9-5(7)8-4-10/h4H,1-3H3,(H3,7,8,9,10)
InChIKeySZCOYAISDJPACR-UHFFFAOYSA-N
XLogP-0.15
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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'-tert-butylcarbamimidoyl)formamide?
The IUPAC name of N-(N'-tert-butylcarbamimidoyl)formamide (CID 58320078) is N-(N'-tert-butylcarbamimidoyl)formamide.
What is the SMILES notation for N-(N'-tert-butylcarbamimidoyl)formamide?
The canonical SMILES for N-(N'-tert-butylcarbamimidoyl)formamide is CC(C)(C)/N=C(\N)NC=O.
What is the InChIKey of N-(N'-tert-butylcarbamimidoyl)formamide?
The InChIKey is SZCOYAISDJPACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-6(2,3)9-5(7)8-4-10/h4H,1-3H3,(H3,7,8,9,10).
What are the key properties of N-(N'-tert-butylcarbamimidoyl)formamide?
N-(N'-tert-butylcarbamimidoyl)formamide has a molecular weight of 143.19 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-tert-butylcarbamimidoyl)formamide is sourced from PubChem (CID 58320078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).