N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine

C16H24N4 — CID 22236268

IUPACN-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine
SMILESCN(C)CC#CC1CCC(N(C)c2cnccn2)CC1
InChIInChI=1S/C16H24N4/c1-19(2)12-4-5-14-6-8-15(9-7-14)20(3)16-13-17-10-11-18-16/h10-11,13-15H,6-9,12H2,1-3H3
InChIKeyCSRHDQUSIQHGHT-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.04
Rot. Bonds3

About N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine

N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine (PubChem CID 22236268) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine
PubChem CID22236268
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine
SMILESCN(C)CC#CC1CCC(N(C)c2cnccn2)CC1
InChIInChI=1S/C16H24N4/c1-19(2)12-4-5-14-6-8-15(9-7-14)20(3)16-13-17-10-11-18-16/h10-11,13-15H,6-9,12H2,1-3H3
InChIKeyCSRHDQUSIQHGHT-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine?
The IUPAC name of N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine (CID 22236268) is N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine.
What is the SMILES notation for N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine?
The canonical SMILES for N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine is CN(C)CC#CC1CCC(N(C)c2cnccn2)CC1.
What is the InChIKey of N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine?
The InChIKey is CSRHDQUSIQHGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-19(2)12-4-5-14-6-8-15(9-7-14)20(3)16-13-17-10-11-18-16/h10-11,13-15H,6-9,12H2,1-3H3.
What are the key properties of N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine?
N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 22236268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).