cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine

C11H18N4 — CID 97168885

IUPACcis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@@H]1NCc1cnccn1
InChIInChI=1S/C11H18N4/c12-10-3-1-2-4-11(10)15-8-9-7-13-5-6-14-9/h5-7,10-11,15H,1-4,8,12H2/t10-,11+/m1/s1
InChIKeyUSLRCNKDBAAJRH-MNOVXSKESA-N
MW206.29 g/mol
LogP0.84
Rot. Bonds3

About cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine

cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 97168885) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine
PubChem CID97168885
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Namecis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@@H]1NCc1cnccn1
InChIInChI=1S/C11H18N4/c12-10-3-1-2-4-11(10)15-8-9-7-13-5-6-14-9/h5-7,10-11,15H,1-4,8,12H2/t10-,11+/m1/s1
InChIKeyUSLRCNKDBAAJRH-MNOVXSKESA-N
XLogP0.84
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrazin-2-ylmethyl)cyclopentanamine
CID 60985603
trans-(1R,2R)-2-(pyrazin-2-ylmethylamino)cyclopentan-1-ol
CID 126846554
N-(pyrazin-2-ylmethyl)cyclooctanamine
CID 62761254
N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55110319
trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine
CID 97165309
cis-(1R,2S)-2-N-[(2-chloropyrimidin-4-yl)methyl]cyclohexane-1,2-diamine
CID 97165306
2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine
CID 71644176
1-N-pyrazin-2-ylcyclopentane-1,2-diamine
CID 63252369
(3R)-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 71636732
trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
(3R)-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71304599
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine (CID 97168885) is cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@@H]1NCc1cnccn1.
What is the InChIKey of cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is USLRCNKDBAAJRH-MNOVXSKESA-N. The full InChI is InChI=1S/C11H18N4/c12-10-3-1-2-4-11(10)15-8-9-7-13-5-6-14-9/h5-7,10-11,15H,1-4,8,12H2/t10-,11+/m1/s1.
What are the key properties of cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine?
cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 97168885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).