1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane

C20H42N4O — CID 166115476

IUPAC1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane
SMILESCC.CC.CN1CCN(CC2CC2)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C16H30N4O.2C2H6/c1-17(2)15(21)19-8-6-16(7-9-19)13-18(3)10-11-20(16)12-14-4-5-14;2*1-2/h14H,4-13H2,1-3H3;2*1-2H3
InChIKeyBMURJRYBGGNRSX-UHFFFAOYSA-N
MW354.58 g/mol
LogP3.21
Rot. Bonds2

About 1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane

1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane (PubChem CID 166115476) has the molecular formula C20H42N4O and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane
PubChem CID166115476
Molecular FormulaC20H42N4O
Molecular Weight354.58 g/mol
Exact Mass354.34
IUPAC Name1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane
SMILESCC.CC.CN1CCN(CC2CC2)C2(CCN(C(=O)N(C)C)CC2)C1
InChIInChI=1S/C16H30N4O.2C2H6/c1-17(2)15(21)19-8-6-16(7-9-19)13-18(3)10-11-20(16)12-14-4-5-14;2*1-2/h14H,4-13H2,1-3H3;2*1-2H3
InChIKeyBMURJRYBGGNRSX-UHFFFAOYSA-N
XLogP3.21
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane with MolForge

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Related Compounds

ethane;N,N,4-trimethyl-1-(2,2,2-trifluoroethyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115517
1-(2-fluoroethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115878
1-(2-fluoroethyl)-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168090236
1-(2,2-difluoroethyl)-N,N-dimethyl-4-propan-2-yl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168983309
1-(cyclopropylmethyl)-11,11-difluoro-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168983517
1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 176790138
N-(tert-butyl)-4-((2,4-dimethylpiperazin-1-yl)methyl)piperidine-1-carboxamide
CID 71784792
(4-Methylpiperazin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 14084839
(4-Ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 14084840
1,3,9-Trimethyl-1,3,9-triazaspiro[5.5]undecan-2-one
CID 22975654
N-(2-methylbutan-2-yl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 71096317
N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 90447180

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane?
The IUPAC name of 1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane (CID 166115476) is 1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane.
What is the SMILES notation for 1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane?
The canonical SMILES for 1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane is CC.CC.CN1CCN(CC2CC2)C2(CCN(C(=O)N(C)C)CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane?
The InChIKey is BMURJRYBGGNRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O.2C2H6/c1-17(2)15(21)19-8-6-16(7-9-19)13-18(3)10-11-20(16)12-14-4-5-14;2*1-2/h14H,4-13H2,1-3H3;2*1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane?
1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane has a molecular weight of 354.58 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane is sourced from PubChem (CID 166115476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).