N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide

C8H18N4O — CID 59630954

IUPACN-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide
SMILESCC(C)(C)CC/N=C(\N)NNC=O
InChIInChI=1S/C8H18N4O/c1-8(2,3)4-5-10-7(9)12-11-6-13/h6H,4-5H2,1-3H3,(H,11,13)(H3,9,10,12)
InChIKeyQZYMNSOSPCNXBO-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.01
Rot. Bonds4

About N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide

N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide (PubChem CID 59630954) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide.

Molecular Properties

Compound NameN-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide
PubChem CID59630954
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC NameN-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide
SMILESCC(C)(C)CC/N=C(\N)NNC=O
InChIInChI=1S/C8H18N4O/c1-8(2,3)4-5-10-7(9)12-11-6-13/h6H,4-5H2,1-3H3,(H,11,13)(H3,9,10,12)
InChIKeyQZYMNSOSPCNXBO-UHFFFAOYSA-N
XLogP-0.01
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide?
The IUPAC name of N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide (CID 59630954) is N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide.
What is the SMILES notation for N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide?
The canonical SMILES for N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide is CC(C)(C)CC/N=C(\N)NNC=O.
What is the InChIKey of N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide?
The InChIKey is QZYMNSOSPCNXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-8(2,3)4-5-10-7(9)12-11-6-13/h6H,4-5H2,1-3H3,(H,11,13)(H3,9,10,12).
What are the key properties of N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide?
N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide has a molecular weight of 186.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[N'-(3,3-dimethylbutyl)carbamimidoyl]amino]formamide is sourced from PubChem (CID 59630954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).