cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine

C11H18N4 — CID 118317021

IUPACcis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine
SMILESCc1cnc(N[C@@]2(C)CCC[C@@H]2N)cn1
InChIInChI=1S/C11H18N4/c1-8-6-14-10(7-13-8)15-11(2)5-3-4-9(11)12/h6-7,9H,3-5,12H2,1-2H3,(H,14,15)/t9-,11-/m0/s1
InChIKeyKQAFGYPQIMNHOA-ONGXEEELSA-N
MW206.29 g/mol
LogP1.47
Rot. Bonds2

About cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine

cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine (PubChem CID 118317021) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine
PubChem CID118317021
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Namecis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine
SMILESCc1cnc(N[C@@]2(C)CCC[C@@H]2N)cn1
InChIInChI=1S/C11H18N4/c1-8-6-14-10(7-13-8)15-11(2)5-3-4-9(11)12/h6-7,9H,3-5,12H2,1-2H3,(H,14,15)/t9-,11-/m0/s1
InChIKeyKQAFGYPQIMNHOA-ONGXEEELSA-N
XLogP1.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Hexylamino)pyrazine-2,5-dicarbonitrile
CID 57334415
3-(Heptylamino)pyrazine-2,5-dicarbonitrile
CID 57334416
3-(Cyclopentylamino)pyrazine-2,5-dicarbonitrile
CID 57394465
3-[(1-isopropyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 86820592
3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine
CID 22248917
3,6-Diethyl-N-(pentan-3-yl)pyrazin-2-amine
CID 22278756
6-Methyl-N-(pentan-3-yl)pyrazin-2-amine
CID 45099732
6-methyl-N-propan-2-ylpyrazin-2-amine
CID 89879689
5-[(4-Methylcyclohexyl)methylamino]pyrazine-2-carbonitrile
CID 64289757
3,6-dimethyl-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrazin-2-amine
CID 164629814
N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 70227072
6-N-[(3S)-2,2-dimethylpentan-3-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine
CID 90391787

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine?
The IUPAC name of cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine (CID 118317021) is cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine.
What is the SMILES notation for cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine?
The canonical SMILES for cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine is Cc1cnc(N[C@@]2(C)CCC[C@@H]2N)cn1.
What is the InChIKey of cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine?
The InChIKey is KQAFGYPQIMNHOA-ONGXEEELSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-6-14-10(7-13-8)15-11(2)5-3-4-9(11)12/h6-7,9H,3-5,12H2,1-2H3,(H,14,15)/t9-,11-/m0/s1.
What are the key properties of cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine?
cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-methyl-1-N-(5-methylpyrazin-2-yl)cyclopentane-1,2-diamine is sourced from PubChem (CID 118317021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).