N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide

C13H24N2O — CID 115769747

IUPACN-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide
SMILESCCCC(NCCNC(=O)C1CC1)C1CC1
InChIInChI=1S/C13H24N2O/c1-2-3-12(10-4-5-10)14-8-9-15-13(16)11-6-7-11/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyHBPFQDPRPXTSHZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.68
Rot. Bonds8

About N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide

N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115769747) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide
PubChem CID115769747
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide
SMILESCCCC(NCCNC(=O)C1CC1)C1CC1
InChIInChI=1S/C13H24N2O/c1-2-3-12(10-4-5-10)14-8-9-15-13(16)11-6-7-11/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyHBPFQDPRPXTSHZ-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(pentan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 75525140
N-[2-(2-aminopentanoylamino)ethyl]cyclopropanecarboxamide
CID 115733623
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
(2R)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanoic acid
CID 107567632
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 115706423
N-[2-[1-(4-bromophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115697061
N-[2-[1-(4-fluorophenyl)propylamino]ethyl]cyclopropanecarboxamide
CID 115641196
N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115621333
N-[2-(methylcarbamoylamino)ethyl]cyclopropanecarboxamide
CID 115575200

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide (CID 115769747) is N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide is CCCC(NCCNC(=O)C1CC1)C1CC1.
What is the InChIKey of N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is HBPFQDPRPXTSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-3-12(10-4-5-10)14-8-9-15-13(16)11-6-7-11/h10-12,14H,2-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide?
N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylbutylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115769747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).