N-(3-ethylhexan-2-yl)formamide

C9H19NO — CID 154666034

IUPACN-(3-ethylhexan-2-yl)formamide
SMILESCCCC(CC)C(C)NC=O
InChIInChI=1S/C9H19NO/c1-4-6-9(5-2)8(3)10-7-11/h7-9H,4-6H2,1-3H3,(H,10,11)
InChIKeyKUBXENNOYWXKNT-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds6

About N-(3-ethylhexan-2-yl)formamide

N-(3-ethylhexan-2-yl)formamide (PubChem CID 154666034) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(3-ethylhexan-2-yl)formamide.

Molecular Properties

Compound NameN-(3-ethylhexan-2-yl)formamide
PubChem CID154666034
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(3-ethylhexan-2-yl)formamide
SMILESCCCC(CC)C(C)NC=O
InChIInChI=1S/C9H19NO/c1-4-6-9(5-2)8(3)10-7-11/h7-9H,4-6H2,1-3H3,(H,10,11)
InChIKeyKUBXENNOYWXKNT-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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
4,5-diethyloctane
CID 519254
N-[(2S)-butan-2-yl]formamide
CID 55285287
N-nonan-4-ylformamide
CID 144801924
N-[(3R)-1-aminohexan-3-yl]formamide
CID 142102579
(3R)-3-ethyl-2-methylhexane
CID 59954424
N-(1-methoxypentan-2-yl)formamide
CID 64991687
N-[1-(methylamino)hexan-3-yl]formamide
CID 142442002
N-(1,1-dibutoxypropan-2-yl)formamide
CID 10130828
N-(2,2-dimethylhexan-3-yl)formamide
CID 173284826

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylhexan-2-yl)formamide?
The IUPAC name of N-(3-ethylhexan-2-yl)formamide (CID 154666034) is N-(3-ethylhexan-2-yl)formamide.
What is the SMILES notation for N-(3-ethylhexan-2-yl)formamide?
The canonical SMILES for N-(3-ethylhexan-2-yl)formamide is CCCC(CC)C(C)NC=O.
What is the InChIKey of N-(3-ethylhexan-2-yl)formamide?
The InChIKey is KUBXENNOYWXKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-9(5-2)8(3)10-7-11/h7-9H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-(3-ethylhexan-2-yl)formamide?
N-(3-ethylhexan-2-yl)formamide has a molecular weight of 157.26 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylhexan-2-yl)formamide is sourced from PubChem (CID 154666034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).