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

C14H20N6 — CID 79110566

IUPAC1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C14H20N6/c1-15-11-7-9-12(10-8-11)16-14-17-18-19-20(14)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3,(H,16,17,19)
InChIKeyMXXPCVZJJCZCJJ-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.60
Rot. Bonds4

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

1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine (PubChem CID 79110566) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
PubChem CID79110566
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C14H20N6/c1-15-11-7-9-12(10-8-11)16-14-17-18-19-20(14)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3,(H,16,17,19)
InChIKeyMXXPCVZJJCZCJJ-UHFFFAOYSA-N
XLogP1.60
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine
CID 113428720
N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine
CID 103889207
1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine
CID 2561113
N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine
CID 43078771
1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one
CID 64670207
N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
CID 9311708
1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79118869
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine
CID 11938976
[2-[(1-phenyltetrazol-5-yl)amino]cyclohexyl]methanol
CID 106362209
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyltetrazol-5-amine
CID 60855788
(2R,3S,4S)-2-(hydroxymethyl)-4-[(1-phenyltetrazol-5-yl)amino]oxan-3-ol
CID 154817090

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine (CID 79110566) is 1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine is CNC1CCC(Nc2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine?
The InChIKey is MXXPCVZJJCZCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-15-11-7-9-12(10-8-11)16-14-17-18-19-20(14)13-5-3-2-4-6-13/h2-6,11-12,15H,7-10H2,1H3,(H,16,17,19).
What are the key properties of 1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine?
1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine has a molecular weight of 272.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79110566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).