N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine

C14H26N4 — CID 107378913

IUPACN-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine
SMILESCCCCN(CC)c1cnc(CNCCC)cn1
InChIInChI=1S/C14H26N4/c1-4-7-9-18(6-3)14-12-16-13(11-17-14)10-15-8-5-2/h11-12,15H,4-10H2,1-3H3
InChIKeyAXSHQMHXROPYDO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.60
Rot. Bonds9

About N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine

N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine (PubChem CID 107378913) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine
PubChem CID107378913
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine
SMILESCCCCN(CC)c1cnc(CNCCC)cn1
InChIInChI=1S/C14H26N4/c1-4-7-9-18(6-3)14-12-16-13(11-17-14)10-15-8-5-2/h11-12,15H,4-10H2,1-3H3
InChIKeyAXSHQMHXROPYDO-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.60
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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Related Compounds

N-butyl-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
CID 62286174
N,N-diethyl-5-(ethylaminomethyl)pyrazin-2-amine
CID 107378823
N-butyl-N-ethyl-2-(propylaminomethyl)pyridin-4-amine
CID 62286341
N-ethyl-5-[(propan-2-ylamino)methyl]-N-propylpyrazin-2-amine
CID 107379089
N-ethyl-N-phenyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107378961
N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine
CID 114925296
N-butyl-5-chloro-N-ethyl-6-(propylaminomethyl)pyridin-2-amine
CID 55054566
N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine
CID 107380630
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
5-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyrazin-2-amine
CID 107379629
N-butyl-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62285989
N-methyl-N-(4-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)pyrazin-2-amine
CID 107380930

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine?
The IUPAC name of N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine (CID 107378913) is N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine.
What is the SMILES notation for N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine?
The canonical SMILES for N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine is CCCCN(CC)c1cnc(CNCCC)cn1.
What is the InChIKey of N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine?
The InChIKey is AXSHQMHXROPYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-7-9-18(6-3)14-12-16-13(11-17-14)10-15-8-5-2/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine?
N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine is sourced from PubChem (CID 107378913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).