(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone

C19H35N3O2 — CID 95214233

IUPAC(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone
SMILESCC(C)[C@@H]1C[C@@H](C(=O)N2CCN(C)C3(CCN(C)CC3)C2)CCO1
InChIInChI=1S/C19H35N3O2/c1-15(2)17-13-16(5-12-24-17)18(23)22-11-10-21(4)19(14-22)6-8-20(3)9-7-19/h15-17H,5-14H2,1-4H3/t16-,17-/m0/s1
InChIKeyBSRFRJTXABPGBN-IRXDYDNUSA-N
MW337.51 g/mol
LogP1.68
Rot. Bonds2

About (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone

(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone (PubChem CID 95214233) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone.

Molecular Properties

Compound Name(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone
PubChem CID95214233
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone
SMILESCC(C)[C@@H]1C[C@@H](C(=O)N2CCN(C)C3(CCN(C)CC3)C2)CCO1
InChIInChI=1S/C19H35N3O2/c1-15(2)17-13-16(5-12-24-17)18(23)22-11-10-21(4)19(14-22)6-8-20(3)9-7-19/h15-17H,5-14H2,1-4H3/t16-,17-/m0/s1
InChIKeyBSRFRJTXABPGBN-IRXDYDNUSA-N
XLogP1.68
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S)-1-methylsulfonylpyrrolidin-2-yl]methanone
CID 95226595
1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 56740413
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone
CID 97399383
2-propan-2-yloxane-4-carbothioamide
CID 12798670
(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
CID 154818816
cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 56742402
4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione
CID 56756430
1-(azepan-1-yl)-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)butane-1,4-dione
CID 56755352
ethane;(3-methyl-3-azaspiro[5.5]undecan-9-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 169258026
(6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97373256
1-[1-(2-propan-2-ylmorpholin-4-yl)cyclopropyl]ethanone
CID 58469536

Frequently Asked Questions

What is the IUPAC name of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone?
The IUPAC name of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone (CID 95214233) is (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone.
What is the SMILES notation for (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone?
The canonical SMILES for (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone is CC(C)[C@@H]1C[C@@H](C(=O)N2CCN(C)C3(CCN(C)CC3)C2)CCO1.
What is the InChIKey of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone?
The InChIKey is BSRFRJTXABPGBN-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-15(2)17-13-16(5-12-24-17)18(23)22-11-10-21(4)19(14-22)6-8-20(3)9-7-19/h15-17H,5-14H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone?
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone has a molecular weight of 337.51 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S,4S)-2-propan-2-yloxan-4-yl]methanone is sourced from PubChem (CID 95214233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).