1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane

C23H50N4O — CID 168983396

IUPAC1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
SMILESCC.CC.CN(C)C.CN1CCN(CC2CC2)C2(CCN(C=O)C(C)(C)C2)C1
InChIInChI=1S/C16H29N3O.C3H9N.2C2H6/c1-15(2)11-16(6-7-19(15)13-20)12-17(3)8-9-18(16)10-14-4-5-14;1-4(2)3;2*1-2/h13-14H,4-12H2,1-3H3;1-3H3;2*1-2H3
InChIKeyYGPKJEMFKULNOL-UHFFFAOYSA-N
MW398.68 g/mol
LogP3.64
Rot. Bonds3

About 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane

1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane (PubChem CID 168983396) has the molecular formula C23H50N4O and a molecular weight of 398.68 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
PubChem CID168983396
Molecular FormulaC23H50N4O
Molecular Weight398.68 g/mol
Exact Mass398.40
IUPAC Name1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
SMILESCC.CC.CN(C)C.CN1CCN(CC2CC2)C2(CCN(C=O)C(C)(C)C2)C1
InChIInChI=1S/C16H29N3O.C3H9N.2C2H6/c1-15(2)11-16(6-7-19(15)13-20)12-17(3)8-9-18(16)10-14-4-5-14;1-4(2)3;2*1-2/h13-14H,4-12H2,1-3H3;1-3H3;2*1-2H3
InChIKeyYGPKJEMFKULNOL-UHFFFAOYSA-N
XLogP3.64
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
CID 168983752
N-[6-[formyl-(1,2,2,3-tetramethylpiperidin-4-yl)amino]hexyl]-N-(1,2,2,3-tetramethylpiperidin-4-yl)formamide
CID 143193564
4-[[4-(2-Methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde;propane
CID 156707614
N,N-dimethylformamide;1-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
CID 156719712
2-Methylpropane;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde
CID 165116549
N,N-dimethylmethanamine;1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;ethane
CID 166115065
N,N-dimethylmethanamine;ethane;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 166115179
N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 166115367
1-(cyclopropylmethyl)-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane
CID 166115476
1-[4-[2-[2-(4-Propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone
CID 167004585
1-(cyclopropylmethyl)-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168090335
N-methyl-N-propylformamide;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 168233558

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane?
The IUPAC name of 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane (CID 168983396) is 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane.
What is the SMILES notation for 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane?
The canonical SMILES for 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane is CC.CC.CN(C)C.CN1CCN(CC2CC2)C2(CCN(C=O)C(C)(C)C2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane?
The InChIKey is YGPKJEMFKULNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.C3H9N.2C2H6/c1-15(2)11-16(6-7-19(15)13-20)12-17(3)8-9-18(16)10-14-4-5-14;1-4(2)3;2*1-2/h13-14H,4-12H2,1-3H3;1-3H3;2*1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane?
1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane has a molecular weight of 398.68 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 168983396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).