N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine

C16H30N4 — CID 66450851

IUPACN-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
SMILESCCCCCN(c1cncc(CNC(C)C)n1)C(C)C
InChIInChI=1S/C16H30N4/c1-6-7-8-9-20(14(4)5)16-12-17-10-15(19-16)11-18-13(2)3/h10,12-14,18H,6-9,11H2,1-5H3
InChIKeyPBDKWEKHOQPPSV-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.38
Rot. Bonds9

About N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine

N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine (PubChem CID 66450851) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
PubChem CID66450851
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
SMILESCCCCCN(c1cncc(CNC(C)C)n1)C(C)C
InChIInChI=1S/C16H30N4/c1-6-7-8-9-20(14(4)5)16-12-17-10-15(19-16)11-18-13(2)3/h10,12-14,18H,6-9,11H2,1-5H3
InChIKeyPBDKWEKHOQPPSV-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.38
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-ethyl-N-methyl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66456595
N-[(6-hexoxypyrazin-2-yl)methyl]propan-2-amine
CID 66449819
6-[(cyclopropylamino)methyl]-N-propan-2-yl-N-propylpyrazin-2-amine
CID 66457987
N-[(6-butoxypyrazin-2-yl)methyl]propan-2-amine
CID 66451389
N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66451039
[6-[propan-2-yl(propyl)amino]pyrazin-2-yl]methanol
CID 66466147
N-methyl-6-[(propan-2-ylamino)methyl]-N-(2-propan-2-yloxyethyl)pyrazin-2-amine
CID 81075073
N-ethyl-6-(ethylaminomethyl)-N-propan-2-ylpyrazin-2-amine
CID 66457590
N-methyl-N-pentyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 55054776
N-cyclopentyl-N-methyl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66458175
6-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyrazin-2-amine
CID 66457788
6-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyrazin-2-amine
CID 82953034

Frequently Asked Questions

What is the IUPAC name of N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The IUPAC name of N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine (CID 66450851) is N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine.
What is the SMILES notation for N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The canonical SMILES for N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine is CCCCCN(c1cncc(CNC(C)C)n1)C(C)C.
What is the InChIKey of N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine?
The InChIKey is PBDKWEKHOQPPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-7-8-9-20(14(4)5)16-12-17-10-15(19-16)11-18-13(2)3/h10,12-14,18H,6-9,11H2,1-5H3.
What are the key properties of N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine?
N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-N-propan-2-yl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine is sourced from PubChem (CID 66450851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).