10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde

C16H27N3O — CID 168983286

IUPAC10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde
SMILESCN1CCN(CC2CC2)C2(CCN(C=O)C3(CC3)C2)C1
InChIInChI=1S/C16H27N3O/c1-17-8-9-18(10-14-2-3-14)16(12-17)6-7-19(13-20)15(11-16)4-5-15/h13-14H,2-12H2,1H3
InChIKeyAYGSLONUMZPWPR-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.17
Rot. Bonds3

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

10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde (PubChem CID 168983286) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde.

Molecular Properties

Compound Name10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde
PubChem CID168983286
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde
SMILESCN1CCN(CC2CC2)C2(CCN(C=O)C3(CC3)C2)C1
InChIInChI=1S/C16H27N3O/c1-17-8-9-18(10-14-2-3-14)16(12-17)6-7-19(13-20)15(11-16)4-5-15/h13-14H,2-12H2,1H3
InChIKeyAYGSLONUMZPWPR-UHFFFAOYSA-N
XLogP1.17
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
10-(cyclopropylmethyl)-N,N,7-trimethyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carboxamide
CID 168983821
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
4-[(1-Tert-butylpiperidin-4-yl)methyl]piperidine-1-carbaldehyde
CID 158606190
1-(Cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 168983397
1-(Cyclopropylmethyl)-3,3,4-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 172360366

Frequently Asked Questions

What is the IUPAC name of 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde?
The IUPAC name of 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde (CID 168983286) is 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde.
What is the SMILES notation for 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde?
The canonical SMILES for 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde is 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?
The InChIKey is AYGSLONUMZPWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-17-8-9-18(10-14-2-3-14)16(12-17)6-7-19(13-20)15(11-16)4-5-15/h13-14H,2-12H2,1H3.
What are the key properties of 10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde?
10-(cyclopropylmethyl)-7-methyl-7,10,13-triazadispiro[2.1.55.33]tridecane-13-carbaldehyde has a molecular weight of 277.41 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 168983286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).