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

C12H23FN2 — CID 146477423

IUPAC(4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
SMILESCC(C)N1CCC2(CCC(F)[C@H]2N)CC1
InChIInChI=1S/C12H23FN2/c1-9(2)15-7-5-12(6-8-15)4-3-10(13)11(12)14/h9-11H,3-8,14H2,1-2H3/t10?,11-/m1/s1
InChIKeyRWPXAPXHHGUINV-RRKGBCIJSA-N
MW214.33 g/mol
LogP1.94
Rot. Bonds1

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

(4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine (PubChem CID 146477423) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is (4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
PubChem CID146477423
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name(4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
SMILESCC(C)N1CCC2(CCC(F)[C@H]2N)CC1
InChIInChI=1S/C12H23FN2/c1-9(2)15-7-5-12(6-8-15)4-3-10(13)11(12)14/h9-11H,3-8,14H2,1-2H3/t10?,11-/m1/s1
InChIKeyRWPXAPXHHGUINV-RRKGBCIJSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3,3-difluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine
CID 146477426
9-methyl-6-propan-2-yl-6-azaspiro[2.6]nonane
CID 156876196
3-propan-2-yl-3-azaspiro[5.5]undecan-9-amine
CID 171508943
(3S,4S)-3-ethyl-8-propan-2-yl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146477418
(2R)-2-methyl-7-propan-2-yl-7-azaspiro[2.6]nonane
CID 118287814
(3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine
CID 176563534
N,6-di(propan-2-yl)-6-azaspiro[3.4]octan-3-amine
CID 171744333
1,4-di(propan-2-yl)piperidin-4-amine
CID 167417701
4-iodo-1-propan-2-ylpiperidin-4-amine
CID 155455763
(5R)-1'-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine
CID 167307426
3-amino-1'-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine]-5-ol
CID 167307365
3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928

Frequently Asked Questions

What is the IUPAC name of (4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine (CID 146477423) is (4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine is CC(C)N1CCC2(CCC(F)[C@H]2N)CC1.
What is the InChIKey of (4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine?
The InChIKey is RWPXAPXHHGUINV-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H23FN2/c1-9(2)15-7-5-12(6-8-15)4-3-10(13)11(12)14/h9-11H,3-8,14H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine?
(4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine has a molecular weight of 214.33 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-fluoro-8-propan-2-yl-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146477423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).