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

C16H29N3O — CID 168983397

IUPAC1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
SMILESCN1CCN(CC2CC2)C2(CCN(C=O)C(C)(C)C2)C1
InChIInChI=1S/C16H29N3O/c1-15(2)11-16(6-7-19(15)13-20)12-17(3)8-9-18(16)10-14-4-5-14/h13-14H,4-12H2,1-3H3
InChIKeyPRLOQVXBQAYUQF-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.41
Rot. Bonds3

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

1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde (PubChem CID 168983397) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
PubChem CID168983397
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
SMILESCN1CCN(CC2CC2)C2(CCN(C=O)C(C)(C)C2)C1
InChIInChI=1S/C16H29N3O/c1-15(2)11-16(6-7-19(15)13-20)12-17(3)8-9-18(16)10-14-4-5-14/h13-14H,4-12H2,1-3H3
InChIKeyPRLOQVXBQAYUQF-UHFFFAOYSA-N
XLogP1.41
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.41
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

1-(cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde;N,N-dimethylmethanamine;ethane
CID 168983752
1-(Cyclopropylmethyl)-11,11-difluoro-4-methyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde
CID 168983753
1-[4-(4-Methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 59639466
3-[(4-Methylpiperazin-1-yl)methyl]piperidine-1-carbaldehyde
CID 134173817
4-[[4-(2-Methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde;propane
CID 156707614
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,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 168983173
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)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
The IUPAC name of 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde (CID 168983397) is 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde.
What is the SMILES notation for 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
The canonical SMILES for 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde is 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?
The InChIKey is PRLOQVXBQAYUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-15(2)11-16(6-7-19(15)13-20)12-17(3)8-9-18(16)10-14-4-5-14/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde?
1-(cyclopropylmethyl)-4,10,10-trimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbaldehyde has a molecular weight of 279.43 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 168983397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).