N-butyl-1-ethylcyclopropane-1-carboxamide;ethane

C12H25NO — CID 171795822

IUPACN-butyl-1-ethylcyclopropane-1-carboxamide;ethane
SMILESCC.CCCCNC(=O)C1(CC)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-3-5-8-11-9(12)10(4-2)6-7-10;1-2/h3-8H2,1-2H3,(H,11,12);1-2H3
InChIKeyVFQOBIIIJQUQLR-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.12
Rot. Bonds5

About N-butyl-1-ethylcyclopropane-1-carboxamide;ethane

N-butyl-1-ethylcyclopropane-1-carboxamide;ethane (PubChem CID 171795822) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-butyl-1-ethylcyclopropane-1-carboxamide;ethane.

Molecular Properties

Compound NameN-butyl-1-ethylcyclopropane-1-carboxamide;ethane
PubChem CID171795822
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-butyl-1-ethylcyclopropane-1-carboxamide;ethane
SMILESCC.CCCCNC(=O)C1(CC)CC1
InChIInChI=1S/C10H19NO.C2H6/c1-3-5-8-11-9(12)10(4-2)6-7-10;1-2/h3-8H2,1-2H3,(H,11,12);1-2H3
InChIKeyVFQOBIIIJQUQLR-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 115567946
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3-ethyl-N-octylpyrrolidine-3-carboxamide
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N-butyl-1-methylcyclohexane-1-carboxamide
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N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
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4-amino-N-butyloxane-4-carboxamide
CID 115293500
1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108970983
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
(1R)-N-butyl-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 95235951
N-butyl-1-phosphanylformamide
CID 89204579
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-ethylcyclopropane-1-carboxamide;ethane?
The IUPAC name of N-butyl-1-ethylcyclopropane-1-carboxamide;ethane (CID 171795822) is N-butyl-1-ethylcyclopropane-1-carboxamide;ethane.
What is the SMILES notation for N-butyl-1-ethylcyclopropane-1-carboxamide;ethane?
The canonical SMILES for N-butyl-1-ethylcyclopropane-1-carboxamide;ethane is CC.CCCCNC(=O)C1(CC)CC1.
What is the InChIKey of N-butyl-1-ethylcyclopropane-1-carboxamide;ethane?
The InChIKey is VFQOBIIIJQUQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-3-5-8-11-9(12)10(4-2)6-7-10;1-2/h3-8H2,1-2H3,(H,11,12);1-2H3.
What are the key properties of N-butyl-1-ethylcyclopropane-1-carboxamide;ethane?
N-butyl-1-ethylcyclopropane-1-carboxamide;ethane has a molecular weight of 199.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-ethylcyclopropane-1-carboxamide;ethane is sourced from PubChem (CID 171795822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).