trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine

C11H17ClN4 — CID 97165309

IUPACtrans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1NCc1nccnc1Cl
InChIInChI=1S/C11H17ClN4/c12-11-10(14-5-6-15-11)7-16-9-4-2-1-3-8(9)13/h5-6,8-9,16H,1-4,7,13H2/t8-,9-/m1/s1
InChIKeyLUVCRZVTMNWANS-RKDXNWHRSA-N
MW240.74 g/mol
LogP1.49
Rot. Bonds3

About trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine (PubChem CID 97165309) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine
PubChem CID97165309
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Nametrans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1NCc1nccnc1Cl
InChIInChI=1S/C11H17ClN4/c12-11-10(14-5-6-15-11)7-16-9-4-2-1-3-8(9)13/h5-6,8-9,16H,1-4,7,13H2/t8-,9-/m1/s1
InChIKeyLUVCRZVTMNWANS-RKDXNWHRSA-N
XLogP1.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-N-(pyrazin-2-ylmethyl)cyclohexane-1,2-diamine
CID 97168885
cis-(1R,2S)-2-N-[(2-chloropyrimidin-4-yl)methyl]cyclohexane-1,2-diamine
CID 97165306
1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine
CID 115117343
trans-(1S,2S)-2-N-[[4-[[[(1R,2R)-2-aminocyclohexyl]amino]methyl]phenyl]methyl]cyclohexane-1,2-diamine;tetrahydrochloride
CID 139241263
(3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71640607
N-[(3-chloropyrazin-2-yl)methyl]-1-[(2S)-piperidin-2-yl]methanamine
CID 97163969
2-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1,2-diamine
CID 71644176
trans-(1R,2R)-2-N-[(4-trimethoxysilylphenyl)methyl]cyclohexane-1,2-diamine
CID 102179234
2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365313
cis-(1S,2R)-2-N-(furan-2-ylmethyl)cyclohexane-1,2-diamine
CID 124676095
2-N-(2-pyridin-4-ylethyl)cyclohexane-1,2-diamine
CID 115118100
1-N-(1H-pyrrol-3-ylmethyl)cyclopentane-1,2-diamine
CID 115117395

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine (CID 97165309) is trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1NCc1nccnc1Cl.
What is the InChIKey of trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine?
The InChIKey is LUVCRZVTMNWANS-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H17ClN4/c12-11-10(14-5-6-15-11)7-16-9-4-2-1-3-8(9)13/h5-6,8-9,16H,1-4,7,13H2/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine has a molecular weight of 240.74 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-[(3-chloropyrazin-2-yl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 97165309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).