1-(7-methyltetradecan-7-yl)-1,3-diazetidine

C17H36N2 — CID 139436879

IUPAC1-(7-methyltetradecan-7-yl)-1,3-diazetidine
SMILESCCCCCCCC(C)(CCCCCC)N1CNC1
InChIInChI=1S/C17H36N2/c1-4-6-8-10-12-14-17(3,19-15-18-16-19)13-11-9-7-5-2/h18H,4-16H2,1-3H3
InChIKeyUBGDNMNJQBAVOP-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.90
Rot. Bonds12

About 1-(7-methyltetradecan-7-yl)-1,3-diazetidine

1-(7-methyltetradecan-7-yl)-1,3-diazetidine (PubChem CID 139436879) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(7-methyltetradecan-7-yl)-1,3-diazetidine.

Molecular Properties

Compound Name1-(7-methyltetradecan-7-yl)-1,3-diazetidine
PubChem CID139436879
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(7-methyltetradecan-7-yl)-1,3-diazetidine
SMILESCCCCCCCC(C)(CCCCCC)N1CNC1
InChIInChI=1S/C17H36N2/c1-4-6-8-10-12-14-17(3,19-15-18-16-19)13-11-9-7-5-2/h18H,4-16H2,1-3H3
InChIKeyUBGDNMNJQBAVOP-UHFFFAOYSA-N
XLogP4.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
1-methyl-4-(6-methylundecan-6-yl)piperazine
CID 170232998
4-(5-methyldodecan-5-yl)morpholine
CID 138551223
3-methyl-1-(5-methyldodecan-5-yl)azetidin-3-ol
CID 139320078
1-(3-methylnonadecan-3-yl)-2,5-dihydrotetrazole
CID 138558370
3-(6-methylundecan-6-yl)imidazolidin-4-amine
CID 170307896
1-(7-methyltetradecan-7-yl)piperidin-3-amine
CID 126486331
1-(7-methyltridecan-7-yl)-3-prop-1-enyl-3-propylazetidine
CID 170265109
4-methyl-1-(7-methyltridecan-7-yl)piperidin-3-amine
CID 130337153
1-(6-methyldodecan-6-yl)pyrazolidin-3-amine
CID 170309506
1-(5-methyldecan-5-yl)azetidine-3-carboxylic acid
CID 154981972

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyltetradecan-7-yl)-1,3-diazetidine?
The IUPAC name of 1-(7-methyltetradecan-7-yl)-1,3-diazetidine (CID 139436879) is 1-(7-methyltetradecan-7-yl)-1,3-diazetidine.
What is the SMILES notation for 1-(7-methyltetradecan-7-yl)-1,3-diazetidine?
The canonical SMILES for 1-(7-methyltetradecan-7-yl)-1,3-diazetidine is CCCCCCCC(C)(CCCCCC)N1CNC1.
What is the InChIKey of 1-(7-methyltetradecan-7-yl)-1,3-diazetidine?
The InChIKey is UBGDNMNJQBAVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-6-8-10-12-14-17(3,19-15-18-16-19)13-11-9-7-5-2/h18H,4-16H2,1-3H3.
What are the key properties of 1-(7-methyltetradecan-7-yl)-1,3-diazetidine?
1-(7-methyltetradecan-7-yl)-1,3-diazetidine has a molecular weight of 268.49 g/mol, XLogP of 4.90, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyltetradecan-7-yl)-1,3-diazetidine is sourced from PubChem (CID 139436879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).