1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde

C13H27N3O — CID 159863431

IUPAC1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde
SMILESCC1CCN(C)CCC(C)N(C)C(C=O)N1C
InChIInChI=1S/C13H27N3O/c1-11-6-8-14(3)9-7-12(2)16(5)13(10-17)15(11)4/h10-13H,6-9H2,1-5H3
InChIKeyIVFGYXSOQBQPQB-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.88
Rot. Bonds1

About 1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde

1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde (PubChem CID 159863431) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde.

Molecular Properties

Compound Name1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde
PubChem CID159863431
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde
SMILESCC1CCN(C)CCC(C)N(C)C(C=O)N1C
InChIInChI=1S/C13H27N3O/c1-11-6-8-14(3)9-7-12(2)16(5)13(10-17)15(11)4/h10-13H,6-9H2,1-5H3
InChIKeyIVFGYXSOQBQPQB-UHFFFAOYSA-N
XLogP0.88
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.88
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-methylpiperidine-4-carbaldehyde;hydrobromide
CID 175478635
1-methylazepane-4-carbaldehyde
CID 82418035
(4R)-1,4,5-trimethylazepane
CID 89169089
2-amino-2-(1-methylpiperidin-4-yl)acetaldehyde
CID 116939114
1-methylpyrrolidine-3-carbaldehyde
CID 19841633
1-(4,7-dimethyl-1,4-diazepan-1-yl)-2-methylpropan-1-one
CID 90295798
1,2,6-trimethylpiperidine-4-carbaldehyde
CID 83905192
4-methanidyl-1-methylpiperidine;uranium
CID 58931509
2,2-difluoro-2-(1-methylpiperidin-4-yl)acetaldehyde
CID 105436778
CID 58865013
CID 58865013
(2R,7S)-1,2,7-trimethylazepane
CID 142119830
methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160

Frequently Asked Questions

What is the IUPAC name of 1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde?
The IUPAC name of 1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde (CID 159863431) is 1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde.
What is the SMILES notation for 1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde?
The canonical SMILES for 1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde is CC1CCN(C)CCC(C)N(C)C(C=O)N1C.
What is the InChIKey of 1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde?
The InChIKey is IVFGYXSOQBQPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11-6-8-14(3)9-7-12(2)16(5)13(10-17)15(11)4/h10-13H,6-9H2,1-5H3.
What are the key properties of 1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde?
1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde has a molecular weight of 241.38 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,7,10-pentamethyl-1,3,7-triazecane-2-carbaldehyde is sourced from PubChem (CID 159863431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).