(3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine

C13H26N2O — CID 146477418

IUPAC(3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCC[C@@H]1OCC2(CCN(C(C)C)CC2)[C@@H]1N
InChIInChI=1S/C13H26N2O/c1-4-11-12(14)13(9-16-11)5-7-15(8-6-13)10(2)3/h10-12H,4-9,14H2,1-3H3/t11-,12+/m0/s1
InChIKeyDDDRLRFWBVLUNJ-NWDGAFQWSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds2

About (3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 146477418) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID146477418
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCC[C@@H]1OCC2(CCN(C(C)C)CC2)[C@@H]1N
InChIInChI=1S/C13H26N2O/c1-4-11-12(14)13(9-16-11)5-7-15(8-6-13)10(2)3/h10-12H,4-9,14H2,1-3H3/t11-,12+/m0/s1
InChIKeyDDDRLRFWBVLUNJ-NWDGAFQWSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-[3-[(3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]butyl]-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 174365121
(4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
CID 146477423
(4S)-3,3-difluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
CID 146477426
(3S,4S)-8-ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146477428
(2R)-2-methyl-7-propan-2-yl-7-azaspiro[2.6]nonane
CID 118287814
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
9-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecane
CID 155034031
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
N-ethyl-3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 177228251
(3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine
CID 176563534

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 146477418) is (3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine is CC[C@@H]1OCC2(CCN(C(C)C)CC2)[C@@H]1N.
What is the InChIKey of (3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is DDDRLRFWBVLUNJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-11-12(14)13(9-16-11)5-7-15(8-6-13)10(2)3/h10-12H,4-9,14H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146477418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).