N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine

C16H28N4 — CID 107379724

IUPACN-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
SMILESCC(C)NCc1cnc(N(C)C2CCCCC2C)cn1
InChIInChI=1S/C16H28N4/c1-12(2)17-9-14-10-19-16(11-18-14)20(4)15-8-6-5-7-13(15)3/h10-13,15,17H,5-9H2,1-4H3
InChIKeyVJDHRURVPNOQOP-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.99
Rot. Bonds5

About N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine

N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine (PubChem CID 107379724) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
PubChem CID107379724
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
SMILESCC(C)NCc1cnc(N(C)C2CCCCC2C)cn1
InChIInChI=1S/C16H28N4/c1-12(2)17-9-14-10-19-16(11-18-14)20(4)15-8-6-5-7-13(15)3/h10-13,15,17H,5-9H2,1-4H3
InChIKeyVJDHRURVPNOQOP-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-methyl-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379057
N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine
CID 107380683
N,2-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81250071
3-chloro-N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288457
N-methyl-N-(2-methylcyclohexyl)-5-(2-methylpropyl)pyridin-2-amine
CID 178141279
N-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379212
N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379342
N-cyclopentyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyrazin-2-amine
CID 107380576
N,4-dimethyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62767575
N-ethyl-5-[(propan-2-ylamino)methyl]-N-propylpyrazin-2-amine
CID 107379089
5-[[methyl-(2-methylcyclohexyl)amino]methyl]pyrazin-2-amine
CID 103056084
N-cyclopentyl-N-methyl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66458175

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine (CID 107379724) is N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine is CC(C)NCc1cnc(N(C)C2CCCCC2C)cn1.
What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The InChIKey is VJDHRURVPNOQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12(2)17-9-14-10-19-16(11-18-14)20(4)15-8-6-5-7-13(15)3/h10-13,15,17H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine is sourced from PubChem (CID 107379724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).