5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine

C14H34N6 — CID 15805944

IUPAC5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine
SMILESCC1NCCNC(C)C(N)C(C)NCCNC(C)C1N
InChIInChI=1S/C14H34N6/c1-9-13(15)10(2)18-7-8-20-12(4)14(16)11(3)19-6-5-17-9/h9-14,17-20H,5-8,15-16H2,1-4H3
InChIKeyVIZZTSQVFVAIFS-UHFFFAOYSA-N
MW286.47 g/mol
LogP-1.43
Rot. Bonds

About 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine

5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine (PubChem CID 15805944) has the molecular formula C14H34N6 and a molecular weight of 286.47 g/mol. Its IUPAC name is 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine.

Molecular Properties

Compound Name5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine
PubChem CID15805944
Molecular FormulaC14H34N6
Molecular Weight286.47 g/mol
Exact Mass286.28
IUPAC Name5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine
SMILESCC1NCCNC(C)C(N)C(C)NCCNC(C)C1N
InChIInChI=1S/C14H34N6/c1-9-13(15)10(2)18-7-8-20-12(4)14(16)11(3)19-6-5-17-9/h9-14,17-20H,5-8,15-16H2,1-4H3
InChIKeyVIZZTSQVFVAIFS-UHFFFAOYSA-N
XLogP-1.43
TPSA100.16 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.47
LogP ≤ 5-1.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine?
The IUPAC name of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine (CID 15805944) is 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine.
What is the SMILES notation for 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine?
The canonical SMILES for 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine is CC1NCCNC(C)C(N)C(C)NCCNC(C)C1N.
What is the InChIKey of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine?
The InChIKey is VIZZTSQVFVAIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H34N6/c1-9-13(15)10(2)18-7-8-20-12(4)14(16)11(3)19-6-5-17-9/h9-14,17-20H,5-8,15-16H2,1-4H3.
What are the key properties of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine?
5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine has a molecular weight of 286.47 g/mol, XLogP of -1.43, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradecane-6,13-diamine is sourced from PubChem (CID 15805944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).