(3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine

C16H23NO — CID 124513857

IUPAC(3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine
SMILESc1ccc(C2(CN[C@@H]3CCOC3)CCCC2)cc1
InChIInChI=1S/C16H23NO/c1-2-6-14(7-3-1)16(9-4-5-10-16)13-17-15-8-11-18-12-15/h1-3,6-7,15,17H,4-5,8-13H2/t15-/m1/s1
InChIKeyZUYBDFBPSYOARP-OAHLLOKOSA-N
MW245.37 g/mol
LogP2.88
Rot. Bonds4

About (3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine

(3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine (PubChem CID 124513857) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine
PubChem CID124513857
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine
SMILESc1ccc(C2(CN[C@@H]3CCOC3)CCCC2)cc1
InChIInChI=1S/C16H23NO/c1-2-6-14(7-3-1)16(9-4-5-10-16)13-17-15-8-11-18-12-15/h1-3,6-7,15,17H,4-5,8-13H2/t15-/m1/s1
InChIKeyZUYBDFBPSYOARP-OAHLLOKOSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine?
The IUPAC name of (3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine (CID 124513857) is (3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine.
What is the SMILES notation for (3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine?
The canonical SMILES for (3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine is c1ccc(C2(CN[C@@H]3CCOC3)CCCC2)cc1.
What is the InChIKey of (3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine?
The InChIKey is ZUYBDFBPSYOARP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-6-14(7-3-1)16(9-4-5-10-16)13-17-15-8-11-18-12-15/h1-3,6-7,15,17H,4-5,8-13H2/t15-/m1/s1.
What are the key properties of (3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine?
(3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine has a molecular weight of 245.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-phenylcyclopentyl)methyl]oxolan-3-amine is sourced from PubChem (CID 124513857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).