N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine

C14H26N4 — CID 63026878

IUPACN-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine
SMILESCC(C)(C)NCCCCN1CCn2ccnc2C1
InChIInChI=1S/C14H26N4/c1-14(2,3)16-6-4-5-8-17-10-11-18-9-7-15-13(18)12-17/h7,9,16H,4-6,8,10-12H2,1-3H3
InChIKeyYTSRWHKBMYMCFW-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.87
Rot. Bonds5

About N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine

N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine (PubChem CID 63026878) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine
PubChem CID63026878
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine
SMILESCC(C)(C)NCCCCN1CCn2ccnc2C1
InChIInChI=1S/C14H26N4/c1-14(2,3)16-6-4-5-8-17-10-11-18-9-7-15-13(18)12-17/h7,9,16H,4-6,8,10-12H2,1-3H3
InChIKeyYTSRWHKBMYMCFW-UHFFFAOYSA-N
XLogP1.87
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.87
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-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine (CID 63026878) is N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine is CC(C)(C)NCCCCN1CCn2ccnc2C1.
What is the InChIKey of N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine?
The InChIKey is YTSRWHKBMYMCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2,3)16-6-4-5-8-17-10-11-18-9-7-15-13(18)12-17/h7,9,16H,4-6,8,10-12H2,1-3H3.
What are the key properties of N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine?
N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine is sourced from PubChem (CID 63026878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).