(1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine

C14H27NO2 — CID 97233274

IUPAC(1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine
SMILESCC1(C)CCC[C@H]1NCCCO[C@H]1CCOC1
InChIInChI=1S/C14H27NO2/c1-14(2)7-3-5-13(14)15-8-4-9-17-12-6-10-16-11-12/h12-13,15H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeySDZXPSCUEVAPNU-QWHCGFSZSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds6

About (1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine

(1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine (PubChem CID 97233274) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine
PubChem CID97233274
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine
SMILESCC1(C)CCC[C@H]1NCCCO[C@H]1CCOC1
InChIInChI=1S/C14H27NO2/c1-14(2)7-3-5-13(14)15-8-4-9-17-12-6-10-16-11-12/h12-13,15H,3-11H2,1-2H3/t12-,13+/m0/s1
InChIKeySDZXPSCUEVAPNU-QWHCGFSZSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
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 (1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine (CID 97233274) is (1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine is CC1(C)CCC[C@H]1NCCCO[C@H]1CCOC1.
What is the InChIKey of (1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine?
The InChIKey is SDZXPSCUEVAPNU-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2)7-3-5-13(14)15-8-4-9-17-12-6-10-16-11-12/h12-13,15H,3-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine?
(1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-N-[3-[(3S)-oxolan-3-yl]oxypropyl]cyclopentan-1-amine is sourced from PubChem (CID 97233274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).