1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine

C11H22N6 — CID 154160528

IUPAC1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine
SMILESCn1nnnc1CCNC1CCCCC1(C)N
InChIInChI=1S/C11H22N6/c1-11(12)7-4-3-5-9(11)13-8-6-10-14-15-16-17(10)2/h9,13H,3-8,12H2,1-2H3
InChIKeyLGMJFWZSVSUDOJ-UHFFFAOYSA-N
MW238.34 g/mol
LogP0.00
Rot. Bonds4

About 1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine

1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine (PubChem CID 154160528) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine
PubChem CID154160528
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine
SMILESCn1nnnc1CCNC1CCCCC1(C)N
InChIInChI=1S/C11H22N6/c1-11(12)7-4-3-5-9(11)13-8-6-10-14-15-16-17(10)2/h9,13H,3-8,12H2,1-2H3
InChIKeyLGMJFWZSVSUDOJ-UHFFFAOYSA-N
XLogP0.00
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine?
The IUPAC name of 1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine (CID 154160528) is 1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine.
What is the SMILES notation for 1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine?
The canonical SMILES for 1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine is Cn1nnnc1CCNC1CCCCC1(C)N.
What is the InChIKey of 1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine?
The InChIKey is LGMJFWZSVSUDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-11(12)7-4-3-5-9(11)13-8-6-10-14-15-16-17(10)2/h9,13H,3-8,12H2,1-2H3.
What are the key properties of 1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine?
1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine has a molecular weight of 238.34 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-N-[2-(1-methyltetrazol-5-yl)ethyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 154160528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).