N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide

C15H26N2O — CID 88630078

IUPACN-ethylbutan-1-amine;N-(3-ethylphenyl)formamide
SMILESCCCCNCC.CCc1cccc(NC=O)c1
InChIInChI=1S/C9H11NO.C6H15N/c1-2-8-4-3-5-9(6-8)10-7-11;1-3-5-6-7-4-2/h3-7H,2H2,1H3,(H,10,11);7H,3-6H2,1-2H3
InChIKeyGDFHIZRKMQRNTC-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.21
Rot. Bonds7

About N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide

N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide (PubChem CID 88630078) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide.

Molecular Properties

Compound NameN-ethylbutan-1-amine;N-(3-ethylphenyl)formamide
PubChem CID88630078
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-ethylbutan-1-amine;N-(3-ethylphenyl)formamide
SMILESCCCCNCC.CCc1cccc(NC=O)c1
InChIInChI=1S/C9H11NO.C6H15N/c1-2-8-4-3-5-9(6-8)10-7-11;1-3-5-6-7-4-2/h3-7H,2H2,1H3,(H,10,11);7H,3-6H2,1-2H3
InChIKeyGDFHIZRKMQRNTC-UHFFFAOYSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.21
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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Related Compounds

N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine
CID 70391748
N-ethylbutan-1-amine;N-(3-ethylphenyl)-2-phenylmethoxyacetamide
CID 70392592
(3-ethylphenyl)urea;N-propylbutan-1-amine
CID 70474371
N-(3-ethylphenyl)decanamide
CID 4053743
N-(2-butoxyethyl)-3-ethylaniline
CID 61483073
N-[3-(2-pyridin-4-ylethyl)phenyl]formamide
CID 168653232
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
3-ethyl-N-pentan-2-ylaniline
CID 43102191
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
2-[2-(3-formamidophenyl)ethylamino]-2-phenylacetic acid;N-hydroxyoctanamide
CID 143322307
1-butyl-3-(3-ethylphenyl)-1-methylurea
CID 5202320
2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093856

Frequently Asked Questions

What is the IUPAC name of N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide?
The IUPAC name of N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide (CID 88630078) is N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide.
What is the SMILES notation for N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide?
The canonical SMILES for N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide is CCCCNCC.CCc1cccc(NC=O)c1.
What is the InChIKey of N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide?
The InChIKey is GDFHIZRKMQRNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C6H15N/c1-2-8-4-3-5-9(6-8)10-7-11;1-3-5-6-7-4-2/h3-7H,2H2,1H3,(H,10,11);7H,3-6H2,1-2H3.
What are the key properties of N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide?
N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide has a molecular weight of 250.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide is sourced from PubChem (CID 88630078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).