(3R)-N-(2-propylpentyl)oxolan-3-amine

C12H25NO — CID 142060093

IUPAC(3R)-N-(2-propylpentyl)oxolan-3-amine
SMILESCCCC(CCC)CN[C@@H]1CCOC1
InChIInChI=1S/C12H25NO/c1-3-5-11(6-4-2)9-13-12-7-8-14-10-12/h11-13H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyCRISZILUXPLMFA-GFCCVEGCSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds7

About (3R)-N-(2-propylpentyl)oxolan-3-amine

(3R)-N-(2-propylpentyl)oxolan-3-amine (PubChem CID 142060093) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3R)-N-(2-propylpentyl)oxolan-3-amine.

Molecular Properties

Compound Name(3R)-N-(2-propylpentyl)oxolan-3-amine
PubChem CID142060093
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3R)-N-(2-propylpentyl)oxolan-3-amine
SMILESCCCC(CCC)CN[C@@H]1CCOC1
InChIInChI=1S/C12H25NO/c1-3-5-11(6-4-2)9-13-12-7-8-14-10-12/h11-13H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyCRISZILUXPLMFA-GFCCVEGCSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-propylpentyl)oxolan-3-amine?
The IUPAC name of (3R)-N-(2-propylpentyl)oxolan-3-amine (CID 142060093) is (3R)-N-(2-propylpentyl)oxolan-3-amine.
What is the SMILES notation for (3R)-N-(2-propylpentyl)oxolan-3-amine?
The canonical SMILES for (3R)-N-(2-propylpentyl)oxolan-3-amine is CCCC(CCC)CN[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-(2-propylpentyl)oxolan-3-amine?
The InChIKey is CRISZILUXPLMFA-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-11(6-4-2)9-13-12-7-8-14-10-12/h11-13H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-N-(2-propylpentyl)oxolan-3-amine?
(3R)-N-(2-propylpentyl)oxolan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-propylpentyl)oxolan-3-amine is sourced from PubChem (CID 142060093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).