1-tert-butyl-1,4,8,11-tetrazacyclotetradecane

C14H32N4 — CID 155077597

IUPAC1-tert-butyl-1,4,8,11-tetrazacyclotetradecane
SMILESCC(C)(C)N1CCCNCCNCCCNCC1
InChIInChI=1S/C14H32N4/c1-14(2,3)18-12-5-8-16-10-9-15-6-4-7-17-11-13-18/h15-17H,4-13H2,1-3H3
InChIKeyXPGZFOMSIDFZGI-UHFFFAOYSA-N
MW256.44 g/mol
LogP0.65
Rot. Bonds

About 1-tert-butyl-1,4,8,11-tetrazacyclotetradecane

1-tert-butyl-1,4,8,11-tetrazacyclotetradecane (PubChem CID 155077597) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-tert-butyl-1,4,8,11-tetrazacyclotetradecane.

Molecular Properties

Compound Name1-tert-butyl-1,4,8,11-tetrazacyclotetradecane
PubChem CID155077597
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name1-tert-butyl-1,4,8,11-tetrazacyclotetradecane
SMILESCC(C)(C)N1CCCNCCNCCCNCC1
InChIInChI=1S/C14H32N4/c1-14(2,3)18-12-5-8-16-10-9-15-6-4-7-17-11-13-18/h15-17H,4-13H2,1-3H3
InChIKeyXPGZFOMSIDFZGI-UHFFFAOYSA-N
XLogP0.65
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,4,8,11-tetrazacyclotetradecane?
The IUPAC name of 1-tert-butyl-1,4,8,11-tetrazacyclotetradecane (CID 155077597) is 1-tert-butyl-1,4,8,11-tetrazacyclotetradecane.
What is the SMILES notation for 1-tert-butyl-1,4,8,11-tetrazacyclotetradecane?
The canonical SMILES for 1-tert-butyl-1,4,8,11-tetrazacyclotetradecane is CC(C)(C)N1CCCNCCNCCCNCC1.
What is the InChIKey of 1-tert-butyl-1,4,8,11-tetrazacyclotetradecane?
The InChIKey is XPGZFOMSIDFZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-14(2,3)18-12-5-8-16-10-9-15-6-4-7-17-11-13-18/h15-17H,4-13H2,1-3H3.
What are the key properties of 1-tert-butyl-1,4,8,11-tetrazacyclotetradecane?
1-tert-butyl-1,4,8,11-tetrazacyclotetradecane has a molecular weight of 256.44 g/mol, XLogP of 0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1,4,8,11-tetrazacyclotetradecane is sourced from PubChem (CID 155077597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).