1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane

C19H38F2N4O — CID 168983752

IUPAC1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)C.CN1CCN(CC2CC2)C2(CCN(C=O)CC2(F)F)C1
InChIInChI=1S/C14H23F2N3O.C3H9N.C2H6/c1-17-6-7-19(8-12-2-3-12)13(9-17)4-5-18(11-20)10-14(13,15)16;1-4(2)3;1-2/h11-12H,2-10H2,1H3;1-3H3;1-2H3
InChIKeyVTJCJTSXQJMGEF-UHFFFAOYSA-N
MW376.54 g/mol
LogP2.08
Rot. Bonds3

About 1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane

1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane (PubChem CID 168983752) has the molecular formula C19H38F2N4O and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
PubChem CID168983752
Molecular FormulaC19H38F2N4O
Molecular Weight376.54 g/mol
Exact Mass376.30
IUPAC Name1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)C.CN1CCN(CC2CC2)C2(CCN(C=O)CC2(F)F)C1
InChIInChI=1S/C14H23F2N3O.C3H9N.C2H6/c1-17-6-7-19(8-12-2-3-12)13(9-17)4-5-18(11-20)10-14(13,15)16;1-4(2)3;1-2/h11-12H,2-10H2,1H3;1-3H3;1-2H3
InChIKeyVTJCJTSXQJMGEF-UHFFFAOYSA-N
XLogP2.08
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 52.08
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-N,N,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168983517
4-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde;2-methylpropane
CID 176558506
1-(cyclopropylmethyl)-11,11-difluoro-N-methyl-N,4-di(propan-2-yl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 176790138
1-(2,2-Difluoroethyl)-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 166115350
1-(Cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 168983753
4-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine-1-carbaldehyde
CID 176558507
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
1-(2,2-difluoroethyl)-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
CID 166115349
N,N-dimethylmethanamine;1-ethyl-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 166115367
10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane
CID 168983285
1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
CID 168983396

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane?
The IUPAC name of 1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane (CID 168983752) is 1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane.
What is the SMILES notation for 1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane?
The canonical SMILES for 1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane is CC.CN(C)C.CN1CCN(CC2CC2)C2(CCN(C=O)CC2(F)F)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane?
The InChIKey is VTJCJTSXQJMGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O.C3H9N.C2H6/c1-17-6-7-19(8-12-2-3-12)13(9-17)4-5-18(11-20)10-14(13,15)16;1-4(2)3;1-2/h11-12H,2-10H2,1H3;1-3H3;1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane?
1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane has a molecular weight of 376.54 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 168983752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).