4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine

C15H27N5 — CID 60871033

IUPAC4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
SMILESCc1cnc(C)c(N2CCCN(CCCCN)CC2)n1
InChIInChI=1S/C15H27N5/c1-13-12-17-14(2)15(18-13)20-9-5-8-19(10-11-20)7-4-3-6-16/h12H,3-11,16H2,1-2H3
InChIKeyKLFNATHSIHIQCM-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.34
Rot. Bonds5

About 4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine

4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine (PubChem CID 60871033) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
PubChem CID60871033
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine
SMILESCc1cnc(C)c(N2CCCN(CCCCN)CC2)n1
InChIInChI=1S/C15H27N5/c1-13-12-17-14(2)15(18-13)20-9-5-8-19(10-11-20)7-4-3-6-16/h12H,3-11,16H2,1-2H3
InChIKeyKLFNATHSIHIQCM-UHFFFAOYSA-N
XLogP1.34
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethyl]azepane
CID 171910200
3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-diethylpropan-1-amine
CID 29188695
5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 115993891
4-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 65169838
3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 91834806
3-[4-(5-bromo-3-methyl-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 79712364
methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate
CID 115538512
5-[4-(5-iodopyrimidin-2-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 116648245
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butan-1-amine
CID 63208464
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
3-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 61225492
3-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 54939146

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine (CID 60871033) is 4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine is Cc1cnc(C)c(N2CCCN(CCCCN)CC2)n1.
What is the InChIKey of 4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine?
The InChIKey is KLFNATHSIHIQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-13-12-17-14(2)15(18-13)20-9-5-8-19(10-11-20)7-4-3-6-16/h12H,3-11,16H2,1-2H3.
What are the key properties of 4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine?
4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine has a molecular weight of 277.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,6-dimethylpyrazin-2-yl)-1,4-diazepan-1-yl]butan-1-amine is sourced from PubChem (CID 60871033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).