N-(1-methoxypentan-2-yl)formamide

C7H15NO2 — CID 64991687

IUPACN-(1-methoxypentan-2-yl)formamide
SMILESCCCC(COC)NC=O
InChIInChI=1S/C7H15NO2/c1-3-4-7(5-10-2)8-6-9/h6-7H,3-5H2,1-2H3,(H,8,9)
InChIKeyPAMXRHYPPYIIFC-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds6

About N-(1-methoxypentan-2-yl)formamide

N-(1-methoxypentan-2-yl)formamide (PubChem CID 64991687) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)formamide.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)formamide
PubChem CID64991687
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(1-methoxypentan-2-yl)formamide
SMILESCCCC(COC)NC=O
InChIInChI=1S/C7H15NO2/c1-3-4-7(5-10-2)8-6-9/h6-7H,3-5H2,1-2H3,(H,8,9)
InChIKeyPAMXRHYPPYIIFC-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-4-ylformamide
CID 14473374
N-(2-formamidopentyl)formamide
CID 174514121
N-octan-4-ylformamide
CID 22178839
N-[(3R)-1-aminohexan-3-yl]formamide
CID 142102579
N-nonan-4-ylformamide
CID 144801924
N-[1-(methylamino)hexan-3-yl]formamide
CID 142442002
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
N-(1-methoxypentan-2-yl)ethanesulfonamide
CID 64585946
N-[(2S)-1-methoxypropan-2-yl]formamide
CID 87302736
N-but-3-en-2-yl-1-methoxypentan-2-amine
CID 107907040
ethyl N-(1-methoxypentan-2-yl)carbamate
CID 64590516
N-(1-methoxypentan-2-yl)-2-sulfanylpropanamide
CID 107030746

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)formamide?
The IUPAC name of N-(1-methoxypentan-2-yl)formamide (CID 64991687) is N-(1-methoxypentan-2-yl)formamide.
What is the SMILES notation for N-(1-methoxypentan-2-yl)formamide?
The canonical SMILES for N-(1-methoxypentan-2-yl)formamide is CCCC(COC)NC=O.
What is the InChIKey of N-(1-methoxypentan-2-yl)formamide?
The InChIKey is PAMXRHYPPYIIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-7(5-10-2)8-6-9/h6-7H,3-5H2,1-2H3,(H,8,9).
What are the key properties of N-(1-methoxypentan-2-yl)formamide?
N-(1-methoxypentan-2-yl)formamide has a molecular weight of 145.20 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)formamide is sourced from PubChem (CID 64991687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).