N-ethyl-N-(3-methylpentan-3-yl)formamide

C9H19NO — CID 54068967

IUPACN-ethyl-N-(3-methylpentan-3-yl)formamide
SMILESCCN(C=O)C(C)(CC)CC
InChIInChI=1S/C9H19NO/c1-5-9(4,6-2)10(7-3)8-11/h8H,5-7H2,1-4H3
InChIKeyVAKKSXDPJXWCAQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.04
Rot. Bonds5

About N-ethyl-N-(3-methylpentan-3-yl)formamide

N-ethyl-N-(3-methylpentan-3-yl)formamide (PubChem CID 54068967) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-N-(3-methylpentan-3-yl)formamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylpentan-3-yl)formamide
PubChem CID54068967
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-N-(3-methylpentan-3-yl)formamide
SMILESCCN(C=O)C(C)(CC)CC
InChIInChI=1S/C9H19NO/c1-5-9(4,6-2)10(7-3)8-11/h8H,5-7H2,1-4H3
InChIKeyVAKKSXDPJXWCAQ-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N-propylformamide
CID 54077144
N-butan-2-yl-N-tert-butylformamide
CID 18974784
N,N-di(pentan-3-yl)formamide
CID 19959733
N,N-bis(2-methylbutan-2-yl)formamide
CID 22149162
N,N-bis(3-methylpentyl)formamide
CID 23138822
N-tert-butyl-N-propan-2-ylformamide
CID 23297526
N-butyl-N-tert-butylformamide
CID 44719400
N-ethyl-N-(3-methylpentan-2-yl)formamide
CID 53660329
N-ethyl-N-(2-ethylbutyl)formamide
CID 53755952
N-methyl-N-(2-methylpentan-2-yl)formamide
CID 53822652
N-(2,3-dimethylbutan-2-yl)-N-ethylformamide
CID 53847549
N-ethyl-N-(2-methylpentan-3-yl)formamide
CID 53930525

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylpentan-3-yl)formamide?
The IUPAC name of N-ethyl-N-(3-methylpentan-3-yl)formamide (CID 54068967) is N-ethyl-N-(3-methylpentan-3-yl)formamide.
What is the SMILES notation for N-ethyl-N-(3-methylpentan-3-yl)formamide?
The canonical SMILES for N-ethyl-N-(3-methylpentan-3-yl)formamide is CCN(C=O)C(C)(CC)CC.
What is the InChIKey of N-ethyl-N-(3-methylpentan-3-yl)formamide?
The InChIKey is VAKKSXDPJXWCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(4,6-2)10(7-3)8-11/h8H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-(3-methylpentan-3-yl)formamide?
N-ethyl-N-(3-methylpentan-3-yl)formamide has a molecular weight of 157.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylpentan-3-yl)formamide is sourced from PubChem (CID 54068967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).