N-(3-ethylpentan-3-yl)formamide

C8H17NO — CID 55284160

IUPACN-(3-ethylpentan-3-yl)formamide
SMILESCCC(CC)(CC)NC=O
InChIInChI=1S/C8H17NO/c1-4-8(5-2,6-3)9-7-10/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyXDEUHQBJZIKRNB-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.70
Rot. Bonds5

About N-(3-ethylpentan-3-yl)formamide

N-(3-ethylpentan-3-yl)formamide (PubChem CID 55284160) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)formamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)formamide
PubChem CID55284160
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(3-ethylpentan-3-yl)formamide
SMILESCCC(CC)(CC)NC=O
InChIInChI=1S/C8H17NO/c1-4-8(5-2,6-3)9-7-10/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyXDEUHQBJZIKRNB-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)formamide?
The IUPAC name of N-(3-ethylpentan-3-yl)formamide (CID 55284160) is N-(3-ethylpentan-3-yl)formamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)formamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)formamide is CCC(CC)(CC)NC=O.
What is the InChIKey of N-(3-ethylpentan-3-yl)formamide?
The InChIKey is XDEUHQBJZIKRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(5-2,6-3)9-7-10/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(3-ethylpentan-3-yl)formamide?
N-(3-ethylpentan-3-yl)formamide has a molecular weight of 143.23 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)formamide is sourced from PubChem (CID 55284160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).