2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine

C16H27N3 — CID 81031315

IUPAC2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(C)CC1c1cnccn1
InChIInChI=1S/C16H27N3/c1-12(2)9-18-10-14-5-4-13(3)8-15(14)16-11-17-6-7-19-16/h6-7,11-15,18H,4-5,8-10H2,1-3H3
InChIKeyVNZWLYGKFSNNPA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.24
Rot. Bonds5

About 2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine

2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine (PubChem CID 81031315) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine
PubChem CID81031315
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCC(C)CC1c1cnccn1
InChIInChI=1S/C16H27N3/c1-12(2)9-18-10-14-5-4-13(3)8-15(14)16-11-17-6-7-19-16/h6-7,11-15,18H,4-5,8-10H2,1-3H3
InChIKeyVNZWLYGKFSNNPA-UHFFFAOYSA-N
XLogP3.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(3-chloro-4-pyridinyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034599
N-[[2-(2,6-difluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81033331
N-[(2-pyrazin-2-ylcyclopentyl)methyl]propan-2-amine
CID 81033718
N-[[2-(3-fluoro-5-methylphenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81034007
N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine
CID 81025607
N-[[2-(3-fluorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81031468
N-[[2-(3-chlorophenyl)-4-methylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 81032140
N-[[4-ethyl-2-(4-methyl-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81032734
N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine
CID 81028406
N-[(4-ethyl-2-pyrimidin-5-ylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029959
N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030101
2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81031393

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine (CID 81031315) is 2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine is CC(C)CNCC1CCC(C)CC1c1cnccn1.
What is the InChIKey of 2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine?
The InChIKey is VNZWLYGKFSNNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)9-18-10-14-5-4-13(3)8-15(14)16-11-17-6-7-19-16/h6-7,11-15,18H,4-5,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine?
2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-2-pyrazin-2-ylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 81031315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).