(3S)-N-(cyclopentylmethyl)oxan-3-amine

C11H21NO — CID 95305960

IUPAC(3S)-N-(cyclopentylmethyl)oxan-3-amine
SMILESC1CCC(CN[C@H]2CCCOC2)C1
InChIInChI=1S/C11H21NO/c1-2-5-10(4-1)8-12-11-6-3-7-13-9-11/h10-12H,1-9H2/t11-/m0/s1
InChIKeyOSDNMRIUVLPKRN-NSHDSACASA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds3

About (3S)-N-(cyclopentylmethyl)oxan-3-amine

(3S)-N-(cyclopentylmethyl)oxan-3-amine (PubChem CID 95305960) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3S)-N-(cyclopentylmethyl)oxan-3-amine.

Molecular Properties

Compound Name(3S)-N-(cyclopentylmethyl)oxan-3-amine
PubChem CID95305960
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3S)-N-(cyclopentylmethyl)oxan-3-amine
SMILESC1CCC(CN[C@H]2CCCOC2)C1
InChIInChI=1S/C11H21NO/c1-2-5-10(4-1)8-12-11-6-3-7-13-9-11/h10-12H,1-9H2/t11-/m0/s1
InChIKeyOSDNMRIUVLPKRN-NSHDSACASA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclopentylmethyl)oxan-3-amine?
The IUPAC name of (3S)-N-(cyclopentylmethyl)oxan-3-amine (CID 95305960) is (3S)-N-(cyclopentylmethyl)oxan-3-amine.
What is the SMILES notation for (3S)-N-(cyclopentylmethyl)oxan-3-amine?
The canonical SMILES for (3S)-N-(cyclopentylmethyl)oxan-3-amine is C1CCC(CN[C@H]2CCCOC2)C1.
What is the InChIKey of (3S)-N-(cyclopentylmethyl)oxan-3-amine?
The InChIKey is OSDNMRIUVLPKRN-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO/c1-2-5-10(4-1)8-12-11-6-3-7-13-9-11/h10-12H,1-9H2/t11-/m0/s1.
What are the key properties of (3S)-N-(cyclopentylmethyl)oxan-3-amine?
(3S)-N-(cyclopentylmethyl)oxan-3-amine has a molecular weight of 183.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclopentylmethyl)oxan-3-amine is sourced from PubChem (CID 95305960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).