N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine

C13H21N3 — CID 65413779

IUPACN-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)C1CCC(C)C1
InChIInChI=1S/C13H21N3/c1-3-15-13(11-5-4-10(2)8-11)12-9-14-6-7-16-12/h6-7,9-11,13,15H,3-5,8H2,1-2H3
InChIKeyTWJMDMPLLYGDQP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.56
Rot. Bonds4

About N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine

N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 65413779) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID65413779
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)C1CCC(C)C1
InChIInChI=1S/C13H21N3/c1-3-15-13(11-5-4-10(2)8-11)12-9-14-6-7-16-12/h6-7,9-11,13,15H,3-5,8H2,1-2H3
InChIKeyTWJMDMPLLYGDQP-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine
CID 80611076
[(3,5-dimethylcyclohexyl)-pyrazin-2-ylmethyl]hydrazine
CID 105203443
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyrazin-2-yl)methyl]ethanamine
CID 79908127
1-(4-ethylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64775844
2-cyclopropyl-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 115860641
N-[(3-chloro-4-pyridinyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 105153760
5-chloro-3-[ethylamino-(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 65413781
(4-methylcyclohexyl)-pyrazin-2-ylmethanamine
CID 63967981
N-[1-adamantyl(pyrazin-2-yl)methyl]ethanamine
CID 63969859
N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415800
1-(4-butylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 115860477

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine (CID 65413779) is N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)C1CCC(C)C1.
What is the InChIKey of N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is TWJMDMPLLYGDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-15-13(11-5-4-10(2)8-11)12-9-14-6-7-16-12/h6-7,9-11,13,15H,3-5,8H2,1-2H3.
What are the key properties of N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine?
N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 65413779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).