N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine

C15H29NO2 — CID 113369357

IUPACN-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine
SMILESCC1CC(OCCCNC2CCCC2)CC(C)O1
InChIInChI=1S/C15H29NO2/c1-12-10-15(11-13(2)18-12)17-9-5-8-16-14-6-3-4-7-14/h12-16H,3-11H2,1-2H3
InChIKeyAOBBDAVDLOHFLW-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.88
Rot. Bonds6

About N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine

N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine (PubChem CID 113369357) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine
PubChem CID113369357
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine
SMILESCC1CC(OCCCNC2CCCC2)CC(C)O1
InChIInChI=1S/C15H29NO2/c1-12-10-15(11-13(2)18-12)17-9-5-8-16-14-6-3-4-7-14/h12-16H,3-11H2,1-2H3
InChIKeyAOBBDAVDLOHFLW-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine?
The IUPAC name of N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine (CID 113369357) is N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine.
What is the SMILES notation for N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine?
The canonical SMILES for N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine is CC1CC(OCCCNC2CCCC2)CC(C)O1.
What is the InChIKey of N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine?
The InChIKey is AOBBDAVDLOHFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12-10-15(11-13(2)18-12)17-9-5-8-16-14-6-3-4-7-14/h12-16H,3-11H2,1-2H3.
What are the key properties of N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine?
N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine has a molecular weight of 255.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethyloxan-4-yl)oxypropyl]cyclopentanamine is sourced from PubChem (CID 113369357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).