N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine

C12H20N4 — CID 106129158

IUPACN-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCC1CCC(N)CC1
InChIInChI=1S/C12H20N4/c1-9-12(15-7-6-14-9)16-8-10-2-4-11(13)5-3-10/h6-7,10-11H,2-5,8,13H2,1H3,(H,15,16)
InChIKeyUBIBXWBTUJFGNM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.71
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine

N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine (PubChem CID 106129158) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine
PubChem CID106129158
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine
SMILESCc1nccnc1NCC1CCC(N)CC1
InChIInChI=1S/C12H20N4/c1-9-12(15-7-6-14-9)16-8-10-2-4-11(13)5-3-10/h6-7,10-11H,2-5,8,13H2,1H3,(H,15,16)
InChIKeyUBIBXWBTUJFGNM-UHFFFAOYSA-N
XLogP1.71
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine (CID 106129158) is N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine is Cc1nccnc1NCC1CCC(N)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine?
The InChIKey is UBIBXWBTUJFGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-12(15-7-6-14-9)16-8-10-2-4-11(13)5-3-10/h6-7,10-11H,2-5,8,13H2,1H3,(H,15,16).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine?
N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-3-methylpyrazin-2-amine is sourced from PubChem (CID 106129158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).