N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine

C16H28N4 — CID 66449148

IUPACN-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCCC1CCCN(c2cncc(CNC(C)C)n2)CC1
InChIInChI=1S/C16H28N4/c1-4-14-6-5-8-20(9-7-14)16-12-17-10-15(19-16)11-18-13(2)3/h10,12-14,18H,4-9,11H2,1-3H3
InChIKeyRTWIBVDQNVYFHC-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.99
Rot. Bonds5

About N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine

N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66449148) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66449148
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCCC1CCCN(c2cncc(CNC(C)C)n2)CC1
InChIInChI=1S/C16H28N4/c1-4-14-6-5-8-20(9-7-14)16-12-17-10-15(19-16)11-18-13(2)3/h10,12-14,18H,4-9,11H2,1-3H3
InChIKeyRTWIBVDQNVYFHC-UHFFFAOYSA-N
XLogP2.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

N-[[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 79945265
N-methyl-1-[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanamine
CID 66449940
6-(4-ethylazepan-1-yl)pyrazin-2-amine
CID 78992314
N-[[6-(2-propan-2-ylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66451715
N-[[6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 66456778
2-methyl-N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66449530
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 114412502
N-[[6-(4-methylazepan-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 66449329
[6-(4-propan-2-ylazepan-1-yl)pyrazin-2-yl]methanol
CID 66467076
N-[[6-[4-[(dimethylamino)methyl]piperidin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 66457839
N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62288369
N-[[6-(4-ethoxypiperidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66457429

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine (CID 66449148) is N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine is CCC1CCCN(c2cncc(CNC(C)C)n2)CC1.
What is the InChIKey of N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is RTWIBVDQNVYFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-14-6-5-8-20(9-7-14)16-12-17-10-15(19-16)11-18-13(2)3/h10,12-14,18H,4-9,11H2,1-3H3.
What are the key properties of N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66449148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).