N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine

C18H28N6 — CID 154751128

IUPACN-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine
SMILESCc1nccn1-c1cncc(NCC2(N(C)C)CCCCCC2)n1
InChIInChI=1S/C18H28N6/c1-15-20-10-11-24(15)17-13-19-12-16(22-17)21-14-18(23(2)3)8-6-4-5-7-9-18/h10-13H,4-9,14H2,1-3H3,(H,21,22)
InChIKeyDJJSIIJKVCKIGU-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.04
Rot. Bonds5

About N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine

N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine (PubChem CID 154751128) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine
PubChem CID154751128
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC NameN-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine
SMILESCc1nccn1-c1cncc(NCC2(N(C)C)CCCCCC2)n1
InChIInChI=1S/C18H28N6/c1-15-20-10-11-24(15)17-13-19-12-16(22-17)21-14-18(23(2)3)8-6-4-5-7-9-18/h10-13H,4-9,14H2,1-3H3,(H,21,22)
InChIKeyDJJSIIJKVCKIGU-UHFFFAOYSA-N
XLogP3.04
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-(2-methylimidazol-1-yl)pyrazin-2-amine
CID 80853705
6-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazin-2-amine
CID 91651045
1-N-benzyl-1-N-methyl-2-N-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]propane-1,2-diamine
CID 133435886
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidin-4-amine
CID 80703179
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,6-naphthyridin-8-amine
CID 91953407
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridin-2-amine
CID 83113071
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-methylpyrimidin-2-amine
CID 78995555
1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]imidazol-2-amine
CID 106579442
N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine
CID 133453504
2-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2,4-diamine
CID 83116516
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylpyridine-3,5-diamine
CID 105420857
3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one
CID 83113978

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine?
The IUPAC name of N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine (CID 154751128) is N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine is Cc1nccn1-c1cncc(NCC2(N(C)C)CCCCCC2)n1.
What is the InChIKey of N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine?
The InChIKey is DJJSIIJKVCKIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-15-20-10-11-24(15)17-13-19-12-16(22-17)21-14-18(23(2)3)8-6-4-5-7-9-18/h10-13H,4-9,14H2,1-3H3,(H,21,22).
What are the key properties of N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine?
N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine has a molecular weight of 328.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cycloheptyl]methyl]-6-(2-methylimidazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 154751128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).