(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

C24H46N4O2 — CID 174365121

IUPAC(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
SMILESCC(C)N1CCC2(CC1)CO[C@@H](CCC(C)N1CCC3(CC1)CO[C@H](C)[C@@H]3N)[C@H]2N
InChIInChI=1S/C24H46N4O2/c1-17(2)27-11-7-24(8-12-27)16-30-20(22(24)26)6-5-18(3)28-13-9-23(10-14-28)15-29-19(4)21(23)25/h17-22H,5-16,25-26H2,1-4H3/t18?,19-,20+,21+,22-/m1/s1
InChIKeyNDRNRWWWQJYVDO-MKNBLZFMSA-N
MW422.66 g/mol
LogP2.20
Rot. Bonds5

About (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

(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 (PubChem CID 174365121) has the molecular formula C24H46N4O2 and a molecular weight of 422.66 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID174365121
Molecular FormulaC24H46N4O2
Molecular Weight422.66 g/mol
Exact Mass422.36
IUPAC Name(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
SMILESCC(C)N1CCC2(CC1)CO[C@@H](CCC(C)N1CCC3(CC1)CO[C@H](C)[C@@H]3N)[C@H]2N
InChIInChI=1S/C24H46N4O2/c1-17(2)27-11-7-24(8-12-27)16-30-20(22(24)26)6-5-18(3)28-13-9-23(10-14-28)15-29-19(4)21(23)25/h17-22H,5-16,25-26H2,1-4H3/t18?,19-,20+,21+,22-/m1/s1
InChIKeyNDRNRWWWQJYVDO-MKNBLZFMSA-N
XLogP2.20
TPSA76.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.66
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)N1CCC2(CC1)CO[C@@H](CCC(C)N1CCC3(CC1)CO[C@H](C)[C@@H]3N)[C@H]2N.
What is the InChIKey of (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?
The InChIKey is NDRNRWWWQJYVDO-MKNBLZFMSA-N. The full InChI is InChI=1S/C24H46N4O2/c1-17(2)27-11-7-24(8-12-27)16-30-20(22(24)26)6-5-18(3)28-13-9-23(10-14-28)15-29-19(4)21(23)25/h17-22H,5-16,25-26H2,1-4H3/t18?,19-,20+,21+,22-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 422.66 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 174365121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).