(3S)-N-(1-cyclobutylethyl)oxan-3-amine

C11H21NO — CID 130735135

IUPAC(3S)-N-(1-cyclobutylethyl)oxan-3-amine
SMILESCC(N[C@H]1CCCOC1)C1CCC1
InChIInChI=1S/C11H21NO/c1-9(10-4-2-5-10)12-11-6-3-7-13-8-11/h9-12H,2-8H2,1H3/t9?,11-/m0/s1
InChIKeyAOXIEVQTPRJKNJ-UMJHXOGRSA-N
MW183.29 g/mol
LogP1.94
Rot. Bonds3

About (3S)-N-(1-cyclobutylethyl)oxan-3-amine

(3S)-N-(1-cyclobutylethyl)oxan-3-amine (PubChem CID 130735135) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3S)-N-(1-cyclobutylethyl)oxan-3-amine.

Molecular Properties

Compound Name(3S)-N-(1-cyclobutylethyl)oxan-3-amine
PubChem CID130735135
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3S)-N-(1-cyclobutylethyl)oxan-3-amine
SMILESCC(N[C@H]1CCCOC1)C1CCC1
InChIInChI=1S/C11H21NO/c1-9(10-4-2-5-10)12-11-6-3-7-13-8-11/h9-12H,2-8H2,1H3/t9?,11-/m0/s1
InChIKeyAOXIEVQTPRJKNJ-UMJHXOGRSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
N-[(1S)-1-cyclohexylethyl]oxetan-3-amine
CID 81388066
N-(3,3-dimethylbutan-2-yl)oxan-3-amine
CID 115717971
N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 103781048
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
(3R)-N-methyloxan-3-amine
CID 58327948
(3R)-3-(oxan-3-ylamino)butan-1-ol
CID 103871769
2-methyl-3-(oxan-3-ylamino)butan-1-ol
CID 115722841
(2S)-N-methyl-2-(oxan-3-ylamino)propanamide
CID 130727521
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
CID 81345202
ethane;3-propan-2-yloxane
CID 143985480

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-cyclobutylethyl)oxan-3-amine?
The IUPAC name of (3S)-N-(1-cyclobutylethyl)oxan-3-amine (CID 130735135) is (3S)-N-(1-cyclobutylethyl)oxan-3-amine.
What is the SMILES notation for (3S)-N-(1-cyclobutylethyl)oxan-3-amine?
The canonical SMILES for (3S)-N-(1-cyclobutylethyl)oxan-3-amine is CC(N[C@H]1CCCOC1)C1CCC1.
What is the InChIKey of (3S)-N-(1-cyclobutylethyl)oxan-3-amine?
The InChIKey is AOXIEVQTPRJKNJ-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(10-4-2-5-10)12-11-6-3-7-13-8-11/h9-12H,2-8H2,1H3/t9?,11-/m0/s1.
What are the key properties of (3S)-N-(1-cyclobutylethyl)oxan-3-amine?
(3S)-N-(1-cyclobutylethyl)oxan-3-amine has a molecular weight of 183.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-cyclobutylethyl)oxan-3-amine is sourced from PubChem (CID 130735135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).