N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine

C13H25NO — CID 71069537

IUPACN-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine
SMILESCC(C)[C@@H]1CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C13H25NO/c1-10(2)11-3-4-13(9-11)14-12-5-7-15-8-6-12/h10-14H,3-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyMWBYACAUGZVWCR-DGCLKSJQSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds3

About N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine

N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine (PubChem CID 71069537) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine
PubChem CID71069537
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine
SMILESCC(C)[C@@H]1CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C13H25NO/c1-10(2)11-3-4-13(9-11)14-12-5-7-15-8-6-12/h10-14H,3-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyMWBYACAUGZVWCR-DGCLKSJQSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine?
The IUPAC name of N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine (CID 71069537) is N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine.
What is the SMILES notation for N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine?
The canonical SMILES for N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine is CC(C)[C@@H]1CC[C@@H](NC2CCOCC2)C1.
What is the InChIKey of N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine?
The InChIKey is MWBYACAUGZVWCR-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)11-3-4-13(9-11)14-12-5-7-15-8-6-12/h10-14H,3-9H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine?
N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-propan-2-ylcyclopentyl]oxan-4-amine is sourced from PubChem (CID 71069537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).