N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine

C15H26N4 — CID 106604977

IUPACN-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CC1CCCN1)C(C)c1cnccn1
InChIInChI=1S/C15H26N4/c1-3-4-10-19(12-14-6-5-7-17-14)13(2)15-11-16-8-9-18-15/h8-9,11,13-14,17H,3-7,10,12H2,1-2H3
InChIKeyHGRQDGUFEIBMDW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.39
Rot. Bonds7

About N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine

N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine (PubChem CID 106604977) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
PubChem CID106604977
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
SMILESCCCCN(CC1CCCN1)C(C)c1cnccn1
InChIInChI=1S/C15H26N4/c1-3-4-10-19(12-14-6-5-7-17-14)13(2)15-11-16-8-9-18-15/h8-9,11,13-14,17H,3-7,10,12H2,1-2H3
InChIKeyHGRQDGUFEIBMDW-UHFFFAOYSA-N
XLogP2.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-methyl-1-pyrazin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 129426014
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604864
N-(piperidin-2-ylmethyl)-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 106623353
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603963
N-[1-(furan-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604775
2-[(1R)-1-[[(2R)-pyrrolidin-2-yl]methoxy]ethyl]pyrazine
CID 97162438
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
N-[1-(5-chlorothiophen-2-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604631
N-[1-(4-bromo-2-chlorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604748
2-[(1S)-1-[[(2S)-piperidin-2-yl]methoxy]ethyl]pyrazine
CID 97162411
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168
2-[1-(piperidin-2-ylmethoxy)ethyl]pyrazine;hydrochloride
CID 71637955

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine (CID 106604977) is N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine is CCCCN(CC1CCCN1)C(C)c1cnccn1.
What is the InChIKey of N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
The InChIKey is HGRQDGUFEIBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-4-10-19(12-14-6-5-7-17-14)13(2)15-11-16-8-9-18-15/h8-9,11,13-14,17H,3-7,10,12H2,1-2H3.
What are the key properties of N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine?
N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazin-2-ylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 106604977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).