N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine

C14H22N4 — CID 107380683

IUPACN-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine
SMILESC=CCN(c1cnc(CNC(C)C)cn1)C1CC1
InChIInChI=1S/C14H22N4/c1-4-7-18(13-5-6-13)14-10-16-12(9-17-14)8-15-11(2)3/h4,9-11,13,15H,1,5-8H2,2-3H3
InChIKeyWNCIADHGBBAZCV-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.13
Rot. Bonds7

About N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine

N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine (PubChem CID 107380683) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine
PubChem CID107380683
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine
SMILESC=CCN(c1cnc(CNC(C)C)cn1)C1CC1
InChIInChI=1S/C14H22N4/c1-4-7-18(13-5-6-13)14-10-16-12(9-17-14)8-15-11(2)3/h4,9-11,13,15H,1,5-8H2,2-3H3
InChIKeyWNCIADHGBBAZCV-UHFFFAOYSA-N
XLogP2.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-5-(ethylaminomethyl)-N-prop-2-enylpyrazin-2-amine
CID 107380684
[5-[cyclopropyl(prop-2-enyl)amino]pyrazin-2-yl]methanol
CID 107372934
N-cyclopentyl-N-methyl-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379057
N-methyl-N-(2-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379724
N-cyclopentyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyrazin-2-amine
CID 107380576
N,N-bis(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379342
N-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379212
N-cyclopropyl-5-(methylaminomethyl)-N-propylpyrazin-2-amine
CID 107379095
N-ethyl-5-[(propan-2-ylamino)methyl]-N-propylpyrazin-2-amine
CID 107379089
N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
CID 107379370
5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926916
N-ethyl-N-(2-methylpropyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379098

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine?
The IUPAC name of N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine (CID 107380683) is N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine is C=CCN(c1cnc(CNC(C)C)cn1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine?
The InChIKey is WNCIADHGBBAZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-7-18(13-5-6-13)14-10-16-12(9-17-14)8-15-11(2)3/h4,9-11,13,15H,1,5-8H2,2-3H3.
What are the key properties of N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine?
N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyrazin-2-amine is sourced from PubChem (CID 107380683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).