N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine

C15H22N4 — CID 107380630

IUPACN-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine
SMILESC#CCN(CC1CC1)c1cnc(CNCCC)cn1
InChIInChI=1S/C15H22N4/c1-3-7-16-9-14-10-18-15(11-17-14)19(8-4-2)12-13-5-6-13/h2,10-11,13,16H,3,5-9,12H2,1H3
InChIKeyWCUUTALFGLRLNL-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.83
Rot. Bonds8

About N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine

N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine (PubChem CID 107380630) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine
PubChem CID107380630
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine
SMILESC#CCN(CC1CC1)c1cnc(CNCCC)cn1
InChIInChI=1S/C15H22N4/c1-3-7-16-9-14-10-18-15(11-17-14)19(8-4-2)12-13-5-6-13/h2,10-11,13,16H,3,5-9,12H2,1H3
InChIKeyWCUUTALFGLRLNL-UHFFFAOYSA-N
XLogP1.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(cyclopropylmethyl)-6-(propylaminomethyl)pyrazin-2-amine
CID 66451704
N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107378913
N-(cyclopropylmethyl)-6-[1-(propylamino)ethyl]-N-prop-2-ynylpyridin-3-amine
CID 83127735
4-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylpyridin-2-amine
CID 114926855
[5-[cyclopropylmethyl(propyl)amino]pyrazin-2-yl]methanol
CID 107372763
5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
CID 107373395
N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)pyrazin-2-amine
CID 107380700
N-(cyclopropylmethyl)-N-methyl-2-(propylaminomethyl)pyridin-4-amine
CID 55059107
N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine
CID 114216358
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-prop-2-ynylpyrimidin-4-amine
CID 114216445
N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186228
N-cyclopropyl-N-(cyclopropylmethyl)-2-(propylaminomethyl)pyridin-4-amine
CID 64520477

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine (CID 107380630) is N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine is C#CCN(CC1CC1)c1cnc(CNCCC)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine?
The InChIKey is WCUUTALFGLRLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-7-16-9-14-10-18-15(11-17-14)19(8-4-2)12-13-5-6-13/h2,10-11,13,16H,3,5-9,12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine?
N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine has a molecular weight of 258.37 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(propylaminomethyl)-N-prop-2-ynylpyrazin-2-amine is sourced from PubChem (CID 107380630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).