N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine

C17H30N4 — CID 63026155

IUPACN-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCn3ccnc3C2)CCCCC1
InChIInChI=1S/C17H30N4/c1-2-8-18-14-17(6-4-3-5-7-17)15-20-11-12-21-10-9-19-16(21)13-20/h9-10,18H,2-8,11-15H2,1H3
InChIKeyLWJJJKMEQVTMMK-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.65
Rot. Bonds6

About N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine

N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 63026155) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine
PubChem CID63026155
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCn3ccnc3C2)CCCCC1
InChIInChI=1S/C17H30N4/c1-2-8-18-14-17(6-4-3-5-7-17)15-20-11-12-21-10-9-19-16(21)13-20/h9-10,18H,2-8,11-15H2,1H3
InChIKeyLWJJJKMEQVTMMK-UHFFFAOYSA-N
XLogP2.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine (CID 63026155) is N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1(CN2CCn3ccnc3C2)CCCCC1.
What is the InChIKey of N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is LWJJJKMEQVTMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-2-8-18-14-17(6-4-3-5-7-17)15-20-11-12-21-10-9-19-16(21)13-20/h9-10,18H,2-8,11-15H2,1H3.
What are the key properties of N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine?
N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 63026155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).