10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane

C21H42N4O — CID 168983285

IUPAC10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)C.CN1CCN(CC2CC2)C2(CCN(C=O)C3(CC3)C2)C1
InChIInChI=1S/C16H27N3O.C3H9N.C2H6/c1-17-8-9-18(10-14-2-3-14)16(12-17)6-7-19(13-20)15(11-16)4-5-15;1-4(2)3;1-2/h13-14H,2-12H2,1H3;1-3H3;1-2H3
InChIKeyNGXNBHZPLOQPHR-UHFFFAOYSA-N
MW366.59 g/mol
LogP2.37
Rot. Bonds3

About 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane

10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane (PubChem CID 168983285) has the molecular formula C21H42N4O and a molecular weight of 366.59 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane
PubChem CID168983285
Molecular FormulaC21H42N4O
Molecular Weight366.59 g/mol
Exact Mass366.34
IUPAC Name10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane
SMILESCC.CN(C)C.CN1CCN(CC2CC2)C2(CCN(C=O)C3(CC3)C2)C1
InChIInChI=1S/C16H27N3O.C3H9N.C2H6/c1-17-8-9-18(10-14-2-3-14)16(12-17)6-7-19(13-20)15(11-16)4-5-15;1-4(2)3;1-2/h13-14H,2-12H2,1H3;1-3H3;1-2H3
InChIKeyNGXNBHZPLOQPHR-UHFFFAOYSA-N
XLogP2.37
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 52.37
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,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-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168983173
1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
CID 168983396
5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide
CID 168983528
10-(cyclopropylmethyl)-N,N,7-trimethyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide
CID 168983821
1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide;ethane
CID 172360214
1-(cyclopropylmethyl)-3,3,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
CID 172360365
10-(cyclopropylmethyl)-N-methyl-N,7-di(propan-2-yl)-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide
CID 176790208
10-(Cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde
CID 168983286
1-(Cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 168983397

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane?
The IUPAC name of 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane (CID 168983285) is 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane.
What is the SMILES notation for 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane?
The canonical SMILES for 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane is CC.CN(C)C.CN1CCN(CC2CC2)C2(CCN(C=O)C3(CC3)C2)C1.
What is the InChIKey of 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane?
The InChIKey is NGXNBHZPLOQPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.C3H9N.C2H6/c1-17-8-9-18(10-14-2-3-14)16(12-17)6-7-19(13-20)15(11-16)4-5-15;1-4(2)3;1-2/h13-14H,2-12H2,1H3;1-3H3;1-2H3.
What are the key properties of 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane?
10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane has a molecular weight of 366.59 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde;N,N-dimethylmethanamine;ethane is sourced from PubChem (CID 168983285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).