N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide

C14H26N2O — CID 57001727

IUPACN-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide
SMILESO=CNC(CCN1CCCC1)C1CCCCC1
InChIInChI=1S/C14H26N2O/c17-12-15-14(13-6-2-1-3-7-13)8-11-16-9-4-5-10-16/h12-14H,1-11H2,(H,15,17)
InChIKeyQHCGIUDOFCCZSY-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds6

About N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide

N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide (PubChem CID 57001727) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide
PubChem CID57001727
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide
SMILESO=CNC(CCN1CCCC1)C1CCCCC1
InChIInChI=1S/C14H26N2O/c17-12-15-14(13-6-2-1-3-7-13)8-11-16-9-4-5-10-16/h12-14H,1-11H2,(H,15,17)
InChIKeyQHCGIUDOFCCZSY-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide?
The IUPAC name of N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide (CID 57001727) is N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide.
What is the SMILES notation for N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide?
The canonical SMILES for N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide is O=CNC(CCN1CCCC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide?
The InChIKey is QHCGIUDOFCCZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c17-12-15-14(13-6-2-1-3-7-13)8-11-16-9-4-5-10-16/h12-14H,1-11H2,(H,15,17).
What are the key properties of N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide?
N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide has a molecular weight of 238.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-pyrrolidin-1-ylpropyl)formamide is sourced from PubChem (CID 57001727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).