1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene

C19H36N2O — CID 142347399

IUPAC1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene
SMILESC=CCCC.CC(C)(C)CC(=O)N1CCC2(CCNC2)CC1
InChIInChI=1S/C14H26N2O.C5H10/c1-13(2,3)10-12(17)16-8-5-14(6-9-16)4-7-15-11-14;1-3-5-4-2/h15H,4-11H2,1-3H3;3H,1,4-5H2,2H3
InChIKeyBXUSWOQHCYHWDL-UHFFFAOYSA-N
MW308.51 g/mol
LogP4.00
Rot. Bonds3

About 1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene

1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene (PubChem CID 142347399) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene.

Molecular Properties

Compound Name1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene
PubChem CID142347399
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene
SMILESC=CCCC.CC(C)(C)CC(=O)N1CCC2(CCNC2)CC1
InChIInChI=1S/C14H26N2O.C5H10/c1-13(2,3)10-12(17)16-8-5-14(6-9-16)4-7-15-11-14;1-3-5-4-2/h15H,4-11H2,1-3H3;3H,1,4-5H2,2H3
InChIKeyBXUSWOQHCYHWDL-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-[(4Z)-Hept-4-EN-1-YL]-2,8-diazaspiro[4.5]decan-3-one
CID 50956744
8-But-3-enoyl-2-methyl-2,8-diazaspiro[4.5]decane
CID 50973673
[1-(2,2-Dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56702288
2-[1-(2,2-dimethylpent-4-en-1-yl)piperidin-4-yl]-N-methylacetamide
CID 56707119
(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-one
CID 89318286
3-Methyl-3-prop-2-enylpyrrolidin-2-one
CID 123797687
3-Prop-2-enyl-1-[4-(propylamino)butyl]pyrrolidin-2-one
CID 141810036
N-[[(1R,5S)-2-azabicyclo[3.1.0]hexan-5-yl]methyl]hex-5-enamide
CID 163837156
1-[4-(Aminomethyl)piperidin-1-yl]docosa-4,7,10,13,16,19-hexaen-1-one
CID 173514305
(3S)-3-ethyl-3-prop-2-enylpyrrolidin-2-one
CID 10920713
N,4-bis(prop-2-enyl)piperidine-4-carboxamide
CID 25916540
2-Prop-2-enyl-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 49759388

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene?
The IUPAC name of 1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene (CID 142347399) is 1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene.
What is the SMILES notation for 1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene?
The canonical SMILES for 1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene is C=CCCC.CC(C)(C)CC(=O)N1CCC2(CCNC2)CC1.
What is the InChIKey of 1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene?
The InChIKey is BXUSWOQHCYHWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.C5H10/c1-13(2,3)10-12(17)16-8-5-14(6-9-16)4-7-15-11-14;1-3-5-4-2/h15H,4-11H2,1-3H3;3H,1,4-5H2,2H3.
What are the key properties of 1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene?
1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene has a molecular weight of 308.51 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-diazaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-1-one;pent-1-ene is sourced from PubChem (CID 142347399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).