4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine

C10H20N6 — CID 79111618

IUPAC4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine
SMILESCCN(c1nnnn1C)C1CCC(N)CC1
InChIInChI=1S/C10H20N6/c1-3-16(10-12-13-14-15(10)2)9-6-4-8(11)5-7-9/h8-9H,3-7,11H2,1-2H3
InChIKeyIWAUTCUMPMGVMV-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.31
Rot. Bonds3

About 4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine (PubChem CID 79111618) has the molecular formula C10H20N6 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine
PubChem CID79111618
Molecular FormulaC10H20N6
Molecular Weight224.31 g/mol
Exact Mass224.17
IUPAC Name4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine
SMILESCCN(c1nnnn1C)C1CCC(N)CC1
InChIInChI=1S/C10H20N6/c1-3-16(10-12-13-14-15(10)2)9-6-4-8(11)5-7-9/h8-9H,3-7,11H2,1-2H3
InChIKeyIWAUTCUMPMGVMV-UHFFFAOYSA-N
XLogP0.31
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine (CID 79111618) is 4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine is CCN(c1nnnn1C)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine?
The InChIKey is IWAUTCUMPMGVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6/c1-3-16(10-12-13-14-15(10)2)9-6-4-8(11)5-7-9/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine has a molecular weight of 224.31 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79111618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).