N-[(1-octylcyclopentyl)methyl]cyclopropanamine

C17H33N — CID 63509236

IUPACN-[(1-octylcyclopentyl)methyl]cyclopropanamine
SMILESCCCCCCCCC1(CNC2CC2)CCCC1
InChIInChI=1S/C17H33N/c1-2-3-4-5-6-7-12-17(13-8-9-14-17)15-18-16-10-11-16/h16,18H,2-15H2,1H3
InChIKeyADTKHYVZQAUKLH-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.05
Rot. Bonds10

About N-[(1-octylcyclopentyl)methyl]cyclopropanamine

N-[(1-octylcyclopentyl)methyl]cyclopropanamine (PubChem CID 63509236) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[(1-octylcyclopentyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-octylcyclopentyl)methyl]cyclopropanamine
PubChem CID63509236
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[(1-octylcyclopentyl)methyl]cyclopropanamine
SMILESCCCCCCCCC1(CNC2CC2)CCCC1
InChIInChI=1S/C17H33N/c1-2-3-4-5-6-7-12-17(13-8-9-14-17)15-18-16-10-11-16/h16,18H,2-15H2,1H3
InChIKeyADTKHYVZQAUKLH-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.05
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-octylcyclopentyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-octylcyclopentyl)methyl]cyclopropanamine (CID 63509236) is N-[(1-octylcyclopentyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-octylcyclopentyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-octylcyclopentyl)methyl]cyclopropanamine is CCCCCCCCC1(CNC2CC2)CCCC1.
What is the InChIKey of N-[(1-octylcyclopentyl)methyl]cyclopropanamine?
The InChIKey is ADTKHYVZQAUKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-2-3-4-5-6-7-12-17(13-8-9-14-17)15-18-16-10-11-16/h16,18H,2-15H2,1H3.
What are the key properties of N-[(1-octylcyclopentyl)methyl]cyclopropanamine?
N-[(1-octylcyclopentyl)methyl]cyclopropanamine has a molecular weight of 251.46 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-octylcyclopentyl)methyl]cyclopropanamine is sourced from PubChem (CID 63509236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).