1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine

C15H22N6 — CID 79118869

IUPAC1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C15H22N6/c1-16-12-8-10-13(11-9-12)20(2)15-17-18-19-21(15)14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3
InChIKeyXEGYGNJNXBRMPQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.63
Rot. Bonds4

About 1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine (PubChem CID 79118869) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
PubChem CID79118869
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C15H22N6/c1-16-12-8-10-13(11-9-12)20(2)15-17-18-19-21(15)14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3
InChIKeyXEGYGNJNXBRMPQ-UHFFFAOYSA-N
XLogP1.63
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine (CID 79118869) is 1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine is CNC1CCC(N(C)c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine?
The InChIKey is XEGYGNJNXBRMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-16-12-8-10-13(11-9-12)20(2)15-17-18-19-21(15)14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79118869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).