N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine

C16H30N4 — CID 107379342

IUPACN,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
SMILESCC(C)CN(CC(C)C)c1cnc(CNC(C)C)cn1
InChIInChI=1S/C16H30N4/c1-12(2)10-20(11-13(3)4)16-9-18-15(8-19-16)7-17-14(5)6/h8-9,12-14,17H,7,10-11H2,1-6H3
InChIKeyWPOKCOVNSQYCRF-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.09
Rot. Bonds8

About N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine

N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine (PubChem CID 107379342) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
PubChem CID107379342
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
SMILESCC(C)CN(CC(C)C)c1cnc(CNC(C)C)cn1
InChIInChI=1S/C16H30N4/c1-12(2)10-20(11-13(3)4)16-9-18-15(8-19-16)7-17-14(5)6/h8-9,12-14,17H,7,10-11H2,1-6H3
InChIKeyWPOKCOVNSQYCRF-UHFFFAOYSA-N
XLogP3.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379098
N-ethyl-5-[(propan-2-ylamino)methyl]-N-propylpyrazin-2-amine
CID 107379089
N-ethyl-N-(2-ethylbutyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379566
N-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379212
N-cyclopentyl-N-methyl-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379057
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazin-2-amine
CID 107871217
N-ethyl-N-(furan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379760
N-methyl-N-(2-methylsulfonylethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107380534
N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379724
N-methyl-5-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)pyrazin-2-amine
CID 107379230
N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine
CID 107380683
N-methyl-5-[(propan-2-ylamino)methyl]-N-(1-thiophen-2-ylethyl)pyrazin-2-amine
CID 107379415

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The IUPAC name of N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine (CID 107379342) is N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine.
What is the SMILES notation for N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The canonical SMILES for N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine is CC(C)CN(CC(C)C)c1cnc(CNC(C)C)cn1.
What is the InChIKey of N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The InChIKey is WPOKCOVNSQYCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)10-20(11-13(3)4)16-9-18-15(8-19-16)7-17-14(5)6/h8-9,12-14,17H,7,10-11H2,1-6H3.
What are the key properties of N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine?
N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine is sourced from PubChem (CID 107379342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).