(3R,4S)-4-(cyclopentylmethyl)oxan-3-amine

C11H21NO — CID 58381283

IUPAC(3R,4S)-4-(cyclopentylmethyl)oxan-3-amine
SMILESN[C@H]1COCC[C@@H]1CC1CCCC1
InChIInChI=1S/C11H21NO/c12-11-8-13-6-5-10(11)7-9-3-1-2-4-9/h9-11H,1-8,12H2/t10-,11+/m1/s1
InChIKeyZCTBPJWNINQHSD-MNOVXSKESA-N
MW183.29 g/mol
LogP1.93
Rot. Bonds2

About (3R,4S)-4-(cyclopentylmethyl)oxan-3-amine

(3R,4S)-4-(cyclopentylmethyl)oxan-3-amine (PubChem CID 58381283) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3R,4S)-4-(cyclopentylmethyl)oxan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(cyclopentylmethyl)oxan-3-amine
PubChem CID58381283
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3R,4S)-4-(cyclopentylmethyl)oxan-3-amine
SMILESN[C@H]1COCC[C@@H]1CC1CCCC1
InChIInChI=1S/C11H21NO/c12-11-8-13-6-5-10(11)7-9-3-1-2-4-9/h9-11H,1-8,12H2/t10-,11+/m1/s1
InChIKeyZCTBPJWNINQHSD-MNOVXSKESA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(cyclopentylmethyl)oxan-3-amine?
The IUPAC name of (3R,4S)-4-(cyclopentylmethyl)oxan-3-amine (CID 58381283) is (3R,4S)-4-(cyclopentylmethyl)oxan-3-amine.
What is the SMILES notation for (3R,4S)-4-(cyclopentylmethyl)oxan-3-amine?
The canonical SMILES for (3R,4S)-4-(cyclopentylmethyl)oxan-3-amine is N[C@H]1COCC[C@@H]1CC1CCCC1.
What is the InChIKey of (3R,4S)-4-(cyclopentylmethyl)oxan-3-amine?
The InChIKey is ZCTBPJWNINQHSD-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21NO/c12-11-8-13-6-5-10(11)7-9-3-1-2-4-9/h9-11H,1-8,12H2/t10-,11+/m1/s1.
What are the key properties of (3R,4S)-4-(cyclopentylmethyl)oxan-3-amine?
(3R,4S)-4-(cyclopentylmethyl)oxan-3-amine has a molecular weight of 183.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(cyclopentylmethyl)oxan-3-amine is sourced from PubChem (CID 58381283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).