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

C9H18N6 — CID 79121106

IUPAC4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine
SMILESCN(c1nnnn1C)C1CCC(N)CC1
InChIInChI=1S/C9H18N6/c1-14(9-11-12-13-15(9)2)8-5-3-7(10)4-6-8/h7-8H,3-6,10H2,1-2H3
InChIKeyNETNPVMQYUKLTI-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.08
Rot. Bonds2

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

4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine (PubChem CID 79121106) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine
PubChem CID79121106
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine
SMILESCN(c1nnnn1C)C1CCC(N)CC1
InChIInChI=1S/C9H18N6/c1-14(9-11-12-13-15(9)2)8-5-3-7(10)4-6-8/h7-8H,3-6,10H2,1-2H3
InChIKeyNETNPVMQYUKLTI-UHFFFAOYSA-N
XLogP-0.08
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine (CID 79121106) is 4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine is CN(c1nnnn1C)C1CCC(N)CC1.
What is the InChIKey of 4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine?
The InChIKey is NETNPVMQYUKLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-14(9-11-12-13-15(9)2)8-5-3-7(10)4-6-8/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine has a molecular weight of 210.28 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79121106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).