N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine

C16H28N4 — CID 107380419

IUPACN-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCCC(C)(C)CC2)cn1
InChIInChI=1S/C16H28N4/c1-13(2)17-10-14-11-19-15(12-18-14)20-8-5-6-16(3,4)7-9-20/h11-13,17H,5-10H2,1-4H3
InChIKeyGJPMEXCWNSXZCB-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.99
Rot. Bonds4

About N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine

N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 107380419) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID107380419
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCCC(C)(C)CC2)cn1
InChIInChI=1S/C16H28N4/c1-13(2)17-10-14-11-19-15(12-18-14)20-8-5-6-16(3,4)7-9-20/h11-13,17H,5-10H2,1-4H3
InChIKeyGJPMEXCWNSXZCB-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-2-amine
CID 107378812
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107379250
N-[[5-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107378954
N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107379535
N-[[5-(3-propylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107380849
1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine
CID 107379977
4-methyl-1-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]azepan-4-ol
CID 107405429
N-[[5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]methyl]propan-2-amine
CID 107380951
2-methyl-N-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379011
N-[[5-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 107380091
2-methyl-N-[[5-(1,4-thiazepan-4-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107379892
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine (CID 107380419) is N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cnc(N2CCCC(C)(C)CC2)cn1.
What is the InChIKey of N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is GJPMEXCWNSXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2)17-10-14-11-19-15(12-18-14)20-8-5-6-16(3,4)7-9-20/h11-13,17H,5-10H2,1-4H3.
What are the key properties of N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4,4-dimethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107380419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).