N-(5-formamidohexyl)formamide

C8H16N2O2 — CID 154679922

IUPACN-(5-formamidohexyl)formamide
SMILESCC(CCCCNC=O)NC=O
InChIInChI=1S/C8H16N2O2/c1-8(10-7-12)4-2-3-5-9-6-11/h6-8H,2-5H2,1H3,(H,9,11)(H,10,12)
InChIKeyCOYLNGWCDUWXRH-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.04
Rot. Bonds8

About N-(5-formamidohexyl)formamide

N-(5-formamidohexyl)formamide (PubChem CID 154679922) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-(5-formamidohexyl)formamide.

Molecular Properties

Compound NameN-(5-formamidohexyl)formamide
PubChem CID154679922
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-(5-formamidohexyl)formamide
SMILESCC(CCCCNC=O)NC=O
InChIInChI=1S/C8H16N2O2/c1-8(10-7-12)4-2-3-5-9-6-11/h6-8H,2-5H2,1H3,(H,9,11)(H,10,12)
InChIKeyCOYLNGWCDUWXRH-UHFFFAOYSA-N
XLogP0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-formamidohexyl)formamide?
The IUPAC name of N-(5-formamidohexyl)formamide (CID 154679922) is N-(5-formamidohexyl)formamide.
What is the SMILES notation for N-(5-formamidohexyl)formamide?
The canonical SMILES for N-(5-formamidohexyl)formamide is CC(CCCCNC=O)NC=O.
What is the InChIKey of N-(5-formamidohexyl)formamide?
The InChIKey is COYLNGWCDUWXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(10-7-12)4-2-3-5-9-6-11/h6-8H,2-5H2,1H3,(H,9,11)(H,10,12).
What are the key properties of N-(5-formamidohexyl)formamide?
N-(5-formamidohexyl)formamide has a molecular weight of 172.23 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-formamidohexyl)formamide is sourced from PubChem (CID 154679922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).